data_2ct1_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 2ct1 _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 ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 mttt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 2.86 3.19 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.633 2.222 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 61.1 m-85 -130.91 155.84 46.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -163.27 145.08 9.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.3 t -79.6 124.57 28.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -83.11 16.91 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.556 HG21 ' CE1' ' A' ' 39' ' ' HIS . 78.7 mt -113.93 -47.87 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 p -116.54 -6.62 11.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 73.65 27.12 1.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.584 ' O ' ' CE2' ' A' ' 25' ' ' PHE . . . -83.05 108.41 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -63.23 156.13 26.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 23' ' ' ALA . 97.2 m-85 -151.65 135.21 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -90.53 0.84 57.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -131.72 129.06 40.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.522 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 93.9 p -61.67 -34.54 75.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.58 -48.34 29.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.53 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.436 HG21 ' CD1' ' A' ' 25' ' ' PHE . 93.3 m -53.74 -48.59 69.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.147 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.424 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.4 ttp -56.15 -61.85 2.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -47.4 -42.87 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.477 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 15.4 mtm -69.28 -28.08 65.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -73.0 -41.69 64.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.3 mt -65.83 -30.02 48.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 1.0 OUTLIER -92.29 -9.68 41.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -97.06 -41.19 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -97.58 -32.32 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.556 ' CE1' HG21 ' A' ' 20' ' ' ILE . 50.2 m-70 -118.89 57.8 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.4 t -77.61 -30.98 52.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -97.3 -25.08 15.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -85.21 44.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 44' ' ' ALA . 3.4 p -160.98 133.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.424 ' N ' HG22 ' A' ' 43' ' ' VAL . . . -81.41 -61.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -85.01 145.4 27.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.575 ' CE1' ' HA ' ' A' ' 57' ' ' ARG . 55.8 m-85 -112.63 134.46 54.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -116.39 142.3 47.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.3 t -68.47 126.94 93.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.415 ' NE2' HD23 ' A' ' 65' ' ' LEU . 28.0 m-70 -116.3 -71.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 p -103.41 174.55 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -89.22 91.29 8.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.6 m -145.86 142.54 28.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.2 t -84.0 142.72 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.8 mm -130.41 122.61 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -41.0 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.575 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 1.3 ptm180 -131.57 172.0 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.433 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 6.3 ttmt -52.44 -61.29 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.3 p -41.72 -38.42 1.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.45 -41.11 85.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 58' ' ' LYS . 55.0 tp -39.79 -57.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -41.23 -53.31 4.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.8 t -49.09 -46.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -66.51 -39.09 88.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 71' ' ' TYR . 16.7 mt -65.9 -25.57 67.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -91.45 -41.27 10.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -71.69 -74.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -59.46 -49.84 76.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -103.22 -177.04 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.3 t -117.8 92.68 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.568 ' CD1' HD22 ' A' ' 65' ' ' LEU . 11.3 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.18 2.91 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.371 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.506 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 76.4 m-85 -134.56 157.24 47.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -162.73 139.82 7.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.7 t -73.49 124.48 25.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -82.47 19.33 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.56 HD11 ' CD2' ' A' ' 39' ' ' HIS . 74.4 mt -116.53 -51.48 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.1 p -114.03 3.05 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 62.72 32.97 15.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -87.52 112.58 22.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -66.9 149.57 50.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.547 ' CD1' HG23 ' A' ' 30' ' ' THR . 86.5 m-85 -144.36 140.24 28.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.9 t -98.47 16.79 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -150.21 118.48 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 85.2 p -50.34 -38.46 42.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.22 -50.7 43.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.547 HG23 ' CD1' ' A' ' 25' ' ' PHE . 85.2 m -51.7 -51.81 53.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.821 0.343 . . . . 0.0 111.139 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.8 ttp -54.23 -62.32 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -45.78 -46.29 15.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.468 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 10.2 mtm -65.03 -39.26 93.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -62.09 -38.92 90.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.432 HG21 ' CD1' ' A' ' 20' ' ' ILE . 45.3 mt -69.42 -30.84 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 0.7 OUTLIER -92.05 -8.4 46.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -99.42 -41.98 7.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -98.11 -30.7 12.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.56 ' CD2' HD11 ' A' ' 20' ' ' ILE . 57.2 m-70 -119.36 48.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 t -66.09 -31.3 72.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.2 -50.19 5.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -46.7 -44.13 18.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.3 147.85 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.99 -64.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -94.55 132.2 39.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 4.3 m-85 -91.51 103.74 16.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -90.19 115.18 27.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.5 t -41.93 134.6 2.32 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 0.64 5.34 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.617 ' CD2' ' CD2' ' A' ' 65' ' ' LEU . 35.6 m-70 -118.34 -70.25 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.3 p -101.2 -178.57 3.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -97.36 75.07 2.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 m -125.6 121.78 34.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.1 t -72.58 125.66 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 16.1 mm -118.2 137.92 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.17 -75.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.051 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.42 117.53 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -47.87 -51.32 23.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.1 t -56.14 -48.05 77.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 61' ' ' LEU . 4.9 m-20 -48.35 -41.66 29.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' ASP . 68.0 tp -37.19 -44.66 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.11 -51.51 57.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.512 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.6 t -48.38 -40.95 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.536 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 58.6 t60 -69.53 -32.01 70.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.617 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 18.0 mt -73.33 -33.96 65.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -87.33 -27.63 22.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -79.4 -66.86 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.536 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 18.3 mm-40 -65.17 -46.82 79.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -107.62 167.57 9.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.6 t -89.31 98.81 11.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.854 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.2 mttt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.549 0.69 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -0.23 6.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.311 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 64.2 m-85 -127.6 151.9 48.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -161.02 147.83 15.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 t -80.09 125.19 29.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -83.05 18.67 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.582 HD13 ' CD2' ' A' ' 39' ' ' HIS . 76.0 mt -116.12 -50.65 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' SG ' ' CB ' ' A' ' 23' ' ' ALA . 28.0 p -115.0 0.73 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 67.82 26.42 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.45 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -79.49 112.68 16.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -69.6 153.77 42.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.496 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 97.3 m-85 -149.07 130.96 15.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 t -74.85 -13.92 60.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -132.48 160.37 36.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 79.5 p -83.4 -33.35 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.6 -44.72 94.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.5 m -65.37 -36.64 84.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.496 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 32.4 ttp -71.43 -54.28 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -50.83 -46.24 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.456 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 9.1 mtt -65.03 -33.04 75.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -69.19 -36.46 77.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 53.7 mt -73.97 -30.4 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -93.8 -7.89 42.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 33' ' ' MET . 13.3 mm-40 -101.75 -41.63 6.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -96.07 -33.87 11.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.582 ' CD2' HD13 ' A' ' 20' ' ' ILE . 61.5 m-70 -116.37 45.21 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.3 t -63.04 -34.77 78.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -91.36 -34.95 14.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -79.78 44.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.3 p -160.7 143.66 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.82 -54.13 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -83.83 109.98 17.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 58' ' ' LYS . 75.7 m-85 -86.96 108.09 18.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -89.75 129.31 36.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.0 t -58.27 128.72 82.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 3.73 2.59 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.643 2.229 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -118.58 -71.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.7 p -103.22 -177.48 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -96.0 73.36 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.6 m -123.13 135.08 54.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.9 132.05 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.1 mm -122.13 123.04 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.24 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.4 ' HA ' ' CE2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -129.54 177.52 7.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 46' ' ' PHE . 9.0 mmtp -59.41 -59.41 5.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.5 t -42.94 -28.33 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.64 -33.03 18.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 58' ' ' LYS . 43.7 tp -43.14 -49.05 6.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -51.84 -60.88 6.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.447 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.423 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 93.8 t -38.04 -41.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -71.29 -38.09 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 62' ' ' GLY . 39.6 mt -67.62 -39.47 84.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -80.87 -32.46 34.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 16.7 mmtp -73.56 -68.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -66.1 -50.18 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -104.52 178.52 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.8 t -114.5 105.73 13.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.825 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 30.7 mttp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.575 0.702 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 0.94 4.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.298 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.486 ' CD1' ' HE2' ' A' ' 31' ' ' MET . 54.8 m-85 -128.16 154.77 45.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -161.21 140.08 10.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.0 t -74.29 124.97 27.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -82.8 18.8 1.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.574 HD12 ' CD2' ' A' ' 39' ' ' HIS . 75.3 mt -116.99 -51.92 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -112.03 -0.17 15.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 66.17 29.86 9.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.41 115.22 23.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.074 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.46 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 12.3 mmt85 -70.06 150.63 46.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.535 ' CD1' HG21 ' A' ' 30' ' ' THR . 90.5 m-85 -145.56 134.62 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.831 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.458 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 15.2 t -95.07 24.46 4.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -157.51 119.34 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 94.8 p -50.44 -41.12 52.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.68 -51.97 47.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.535 HG21 ' CD1' ' A' ' 25' ' ' PHE . 88.0 m -50.21 -51.58 42.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.167 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.486 ' HE2' ' CD1' ' A' ' 16' ' ' TYR . 18.9 ttp -52.96 -63.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -46.41 -46.24 18.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.501 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 12.6 mmm -64.89 -28.14 69.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -76.52 -35.88 58.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.8 mt -73.9 -29.54 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.453 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -93.67 -7.86 42.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 33' ' ' MET . 27.3 mm-40 -101.44 -41.86 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -95.92 -32.27 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.574 ' CD2' HD12 ' A' ' 20' ' ' ILE . 61.6 m-70 -117.3 44.25 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 t -62.48 -35.07 78.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -94.99 -26.58 16.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -82.62 44.72 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.485 HG22 ' N ' ' A' ' 44' ' ' ALA . 4.9 p -164.33 138.28 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.485 ' N ' HG22 ' A' ' 43' ' ' VAL . . . -79.25 -70.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -85.55 160.73 19.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -119.72 161.36 20.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -136.58 129.88 31.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.4 t -58.96 129.52 85.83 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 6.59 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.338 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 43.2 m-70 -122.98 -71.74 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.1 p -103.94 -179.56 3.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.27 84.29 5.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.5 m -136.2 110.07 8.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.1 129.56 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 56' ' ' ALA . 16.8 mm -119.59 143.83 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.463 ' N ' HG22 ' A' ' 55' ' ' ILE . . . -103.54 -73.21 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -73.22 123.38 23.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -55.41 -55.13 35.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.5 m -46.11 -36.53 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' LEU . 72.6 m-20 -68.67 -40.13 80.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 60' ' ' ASP . 66.8 tp -37.45 -47.76 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.14 -50.76 57.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.457 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 97.0 t -52.05 -39.44 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.555 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 51.1 t60 -71.76 -31.58 66.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 mt -71.76 -33.18 68.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -90.05 -35.92 15.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 6.3 mmpt? -68.42 -53.03 26.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.555 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 37.1 mm-40 -81.02 -50.28 9.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' A' ' 50' ' ' HIS . 30.2 m-70 -106.05 167.5 9.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.9 m -87.95 115.75 25.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.877 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.9 mttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.94 2.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 60.1 m-85 -132.15 155.91 47.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -162.64 145.3 10.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.6 t -79.38 124.22 28.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -81.49 16.7 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.57 HD11 ' CD2' ' A' ' 39' ' ' HIS . 76.3 mt -114.8 -52.82 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 p -109.94 -8.03 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 72.5 30.23 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.588 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -86.91 108.89 18.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -61.57 153.58 27.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 92.5 m-85 -148.2 136.59 21.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 t -94.06 8.11 42.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -140.73 121.94 14.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 90.2 p -56.35 -34.17 66.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.0 -51.19 29.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 25' ' ' PHE . 96.7 m -53.34 -49.92 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 111.177 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.44 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 17.6 ttp -54.57 -60.58 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -49.86 -38.0 33.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.498 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 12.6 mtm -74.34 -27.1 60.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -73.76 -39.76 63.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mt -70.61 -26.99 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 0.9 OUTLIER -94.93 -8.08 38.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 33' ' ' MET . 51.4 mt-30 -99.98 -41.77 7.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.97 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -98.47 -34.91 10.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.57 ' CD2' HD11 ' A' ' 20' ' ' ILE . 59.5 m-70 -113.5 46.39 1.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 t -65.52 -34.72 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -97.52 -24.59 15.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -81.74 39.84 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 p -158.57 146.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.93 -57.51 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -87.7 136.57 32.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 58' ' ' LYS . 80.9 m-85 -104.36 141.52 36.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -123.5 136.7 54.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.5 t -65.75 129.23 94.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 2.54 3.45 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.539 ' CD2' ' CD2' ' A' ' 65' ' ' LEU . 36.0 m-70 -116.47 -72.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.3 p -102.94 177.23 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -90.56 76.65 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.6 m -128.7 124.98 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.28 136.45 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 23.1 mm -122.84 125.16 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.64 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.28 170.79 8.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 3.6 ttmm -63.53 -56.26 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.4 t -42.11 -36.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.12 -36.57 64.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 58' ' ' LYS . 14.2 tp -43.04 -60.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -39.32 -58.46 2.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.1 t -42.52 -43.62 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -71.09 -39.19 72.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.539 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 28.2 mt -66.67 -28.04 68.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -89.93 -36.56 14.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -73.13 -71.76 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -61.4 -46.97 87.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -107.62 -175.86 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.545 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 39.8 t -109.61 130.61 55.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 70' ' ' SER . 10.7 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 71.0 mttt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.577 0.703 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -0.38 6.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.377 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 67.7 m-85 -128.11 150.62 49.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -160.48 142.8 12.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.9 t -76.29 123.28 25.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -82.65 18.42 1.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.552 HD13 ' CD2' ' A' ' 39' ' ' HIS . 79.1 mt -113.41 -49.15 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.436 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 30.2 p -117.16 -5.72 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.436 ' CD2' ' C ' ' A' ' 21' ' ' CYS . 17.4 m-70 73.81 30.15 1.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.476 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -85.56 107.13 17.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 20.5 mmt180 -63.22 156.07 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.527 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 83.2 m-85 -147.53 131.14 16.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.403 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -72.87 -16.23 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -131.32 167.07 19.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 76.4 p -86.69 -49.76 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -50.57 -45.08 47.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.491 HG23 ' CD1' ' A' ' 25' ' ' PHE . 91.6 m -61.25 -47.87 84.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 111.108 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.527 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 40.2 ttp -59.87 -55.46 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -50.18 -45.85 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.49 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -65.25 -33.01 74.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -68.96 -37.82 79.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.3 mt -72.58 -31.77 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.08 -8.15 46.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 33' ' ' MET . 12.5 mm100 -101.71 -41.48 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -95.96 -33.23 12.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.552 ' CD2' HD13 ' A' ' 20' ' ' ILE . 61.5 m-70 -117.45 44.29 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 t -60.23 -37.94 81.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -98.74 -24.63 14.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -81.47 41.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.9 p -151.91 152.95 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.29 -68.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -92.45 140.25 29.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -106.1 102.06 11.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -83.42 116.34 22.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -44.87 136.32 4.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 5.25 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.433 ' CD2' ' CD2' ' A' ' 65' ' ' LEU . 48.1 m-70 -124.29 -65.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.9 p -106.99 -177.38 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.55 82.22 3.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.4 m -142.64 115.72 8.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 81.9 t -64.08 141.0 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 56' ' ' ALA . 38.1 mm -125.77 80.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -36.79 -72.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.6 ttp85 -72.03 130.75 41.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -57.77 -66.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.5 t -39.68 -55.77 1.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -38.48 -40.12 0.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.7 tp -38.15 -49.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.04 -56.06 25.01 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.1 t -47.12 -44.83 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -67.78 -26.32 66.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.433 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 35.1 mt -78.14 -26.38 47.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -91.37 -32.65 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -77.0 -70.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -60.24 -45.95 91.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -109.19 -179.93 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.3 m -101.25 103.78 14.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HB3' ' C ' ' A' ' 25' ' ' PHE . 54.7 mttp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.557 0.694 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 4.86 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.374 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 73.7 m-85 -129.99 151.57 50.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 28.2 tt0 -163.59 148.71 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 43.6 t -78.95 126.96 31.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -84.43 14.57 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.569 HD12 ' CD2' ' A' ' 39' ' ' HIS . 90.4 mt -111.81 -52.4 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.2 p -109.3 -3.05 17.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 66.21 36.3 5.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.594 ' O ' ' CE2' ' A' ' 25' ' ' PHE . . . -94.85 107.97 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -60.08 161.05 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 23' ' ' ALA . 88.8 m-85 -153.22 126.48 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 t -71.45 -15.96 62.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -123.11 154.5 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 54.1 p -78.1 -53.77 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.45 -50.99 28.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.569 HG23 ' CD1' ' A' ' 25' ' ' PHE . 90.4 m -52.27 -50.2 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.731 0.3 . . . . 0.0 111.121 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.4 ttp -58.1 -62.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.458 ' CB ' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -47.35 -47.41 25.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.412 ' HG3' ' CB ' ' A' ' 49' ' ' PRO . 32.1 mtm -63.44 -40.75 97.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -59.36 -38.63 80.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.5 mt -69.57 -32.68 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.88 -8.13 47.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -98.37 -38.85 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -101.94 -34.98 9.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.569 ' CD2' HD12 ' A' ' 20' ' ' ILE . 58.6 m-70 -114.0 50.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 t -69.69 -33.89 73.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.87 -32.8 12.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -75.45 50.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 44' ' ' ALA . 14.4 p -170.28 144.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.459 ' N ' HG23 ' A' ' 43' ' ' VAL . . . -85.15 -66.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -95.65 151.38 19.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -108.0 160.39 15.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -136.23 121.44 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.409 ' C ' ' H ' ' A' ' 50' ' ' HIS . 42.9 t -47.08 130.13 9.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.717 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.458 ' HA ' ' CB ' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.78 8.63 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.437 ' CB ' ' CE1' ' A' ' 69' ' ' HIS . 44.2 m-70 -124.2 -70.95 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.7 p -104.64 174.09 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -83.23 81.47 8.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.4 m -131.84 114.49 14.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 99.8 t -72.37 126.98 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 56' ' ' ALA . 35.3 mm -119.59 143.55 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.46 ' N ' HG23 ' A' ' 55' ' ' ILE . . . -106.61 -75.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -68.49 112.88 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -46.37 -46.95 18.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 t -52.59 -39.23 61.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.39 -39.04 88.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.0 tp -38.76 -42.43 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.85 -48.12 83.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.2 t -52.37 -43.05 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 111.109 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.55 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 59.5 t60 -68.81 -32.19 71.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.18 -33.49 65.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -82.62 -35.88 26.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -72.73 -70.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.55 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 10.2 mm100 -62.46 -48.18 80.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.437 ' CE1' ' CB ' ' A' ' 50' ' ' HIS . 28.5 m-70 -109.67 -176.24 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.4 t -110.84 102.43 10.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.879 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mptt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.565 0.698 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 0.64 5.4 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 63.3 m-85 -129.33 158.55 38.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -164.05 138.5 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 t -72.68 122.96 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -81.79 21.15 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.582 HG21 ' CE1' ' A' ' 39' ' ' HIS . 64.7 mt -117.93 -53.4 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 p -111.52 -0.21 16.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 67.9 31.19 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.56 112.94 21.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -70.41 144.16 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.458 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 91.4 m-85 -138.87 129.8 26.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -73.98 -18.14 60.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.153 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -127.37 146.7 50.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 97.4 p -67.71 -50.66 56.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.808 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.61 -55.53 10.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.444 HG23 ' CD1' ' A' ' 25' ' ' PHE . 28.9 m -50.46 -50.37 52.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 111.157 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.458 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 37.5 ttp -58.27 -61.92 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -44.84 -47.4 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.5 mtm -63.63 -37.21 86.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -63.07 -40.55 98.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.6 mt -68.02 -29.35 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -94.74 -8.08 38.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -99.83 -39.55 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -100.62 -34.14 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.582 ' CE1' HG21 ' A' ' 20' ' ' ILE . 46.6 m-70 -114.52 41.4 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 t -56.87 -42.5 79.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 16.2 pt-20 -93.89 -49.01 6.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.44 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 6.5 m120 -40.78 -38.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 39' ' ' HIS . 7.3 p -80.07 149.74 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.78 -58.82 2.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -97.86 132.71 43.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.402 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 2.9 m-85 -92.08 161.54 14.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' CYS . 8.7 m-70 -150.65 116.91 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' HIS . 44.6 t -35.86 133.82 0.54 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 5.39 1.73 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.401 ' NE2' ' OH ' ' A' ' 71' ' ' TYR . 41.5 m-70 -125.3 -68.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.0 p -99.59 176.08 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 16.7 p-10 -91.58 91.2 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.3 m -141.59 124.51 16.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.67 126.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.511 ' O ' ' C ' ' A' ' 56' ' ' ALA . 51.5 mm -118.42 77.22 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -28.07 -74.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.01 145.71 24.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 61' ' ' LEU . 12.0 tptp -55.54 -56.62 18.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 58' ' ' LYS . 4.2 m -36.74 -55.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -44.69 -42.95 8.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.461 ' N ' HG23 ' A' ' 55' ' ' ILE . 45.7 tp -36.93 -49.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.5 -54.06 39.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.6 t -48.37 -40.84 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.485 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 59.1 t60 -69.66 -38.07 76.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.25 -37.7 81.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -77.44 -36.79 52.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -73.36 -73.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.485 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 15.6 mm-40 -57.72 -49.41 76.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -107.81 -176.91 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 t -112.38 87.62 2.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.401 ' OH ' ' NE2' ' A' ' 50' ' ' HIS . 6.4 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' CD ' ' CB ' ' A' ' 24' ' ' ARG . 71.3 mttt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.584 0.707 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 3.36 2.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 62.0 m-85 -132.11 159.17 39.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 14.4 tt0 -169.79 144.69 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 20.0 t -77.32 127.17 32.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -84.65 12.65 6.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.52 HD12 ' CG ' ' A' ' 39' ' ' HIS . 92.5 mt -109.92 -51.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.17 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.433 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 20.7 p -108.19 -12.6 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 21' ' ' CYS . 19.5 m-70 74.94 38.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.588 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -97.99 108.15 20.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.406 ' CB ' ' CD ' ' A' ' 14' ' ' LYS . 13.9 mmt180 -59.49 154.6 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 89.6 m-85 -148.1 135.75 20.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.8 t -96.81 19.48 12.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -152.23 110.78 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.542 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 88.7 p -45.39 -39.49 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.9 -52.98 40.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.459 HG22 ' CD1' ' A' ' 25' ' ' PHE . 63.3 m -50.83 -53.35 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.753 0.311 . . . . 0.0 111.119 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.452 ' HE1' ' CD1' ' A' ' 16' ' ' TYR . 24.3 ttp -53.28 -61.02 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -47.01 -44.52 20.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 21.9 mtm -68.34 -33.23 73.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -70.15 -37.97 75.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.1 mt -72.56 -30.06 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.7 -8.18 41.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 33' ' ' MET . 24.7 mm-40 -101.71 -37.54 8.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -98.62 -32.31 11.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.52 ' CG ' HD12 ' A' ' 20' ' ' ILE . 61.9 m-70 -118.77 50.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 t -71.13 -23.78 62.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -97.44 -29.98 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -79.54 43.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.7 p -168.32 138.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.48 -54.65 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -85.27 131.31 34.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 58' ' ' LYS . 83.3 m-85 -102.21 152.82 20.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -138.22 138.98 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.462 ' C ' ' H ' ' A' ' 50' ' ' HIS . 35.4 t -66.51 126.62 92.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.469 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.76 13.13 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.342 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' A' ' 48' ' ' CYS . 42.1 m-70 -126.17 -72.64 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.6 p -104.4 159.35 15.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.17 82.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -133.01 135.24 45.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -83.47 140.49 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.179 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.1 mm -128.66 121.55 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.86 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.59 173.6 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' LEU . 18.9 tptp -60.86 -60.66 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -38.27 -39.08 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 61' ' ' LEU . 6.3 t0 -68.21 -44.39 75.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' LYS . 54.1 tp -35.68 -50.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -50.33 -59.08 8.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.532 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -44.25 -41.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -69.43 -32.4 71.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.2 -35.37 71.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -84.38 -33.48 23.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -73.39 -63.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -69.63 -47.74 62.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -110.43 -178.19 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 m -113.23 107.21 15.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.964 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 66.6 mttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.577 0.703 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 1.84 4.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 70.9 m-85 -132.27 153.5 50.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -161.91 141.12 9.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.6 t -74.64 123.33 24.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -82.4 20.02 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.56 HG23 ' CE1' ' A' ' 39' ' ' HIS . 64.2 mt -116.06 -52.46 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.1 p -113.21 -2.12 14.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 71.51 27.36 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.38 109.4 16.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.47 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 14.9 mmt180 -68.05 149.24 49.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.542 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 80.1 m-85 -139.3 137.58 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.457 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 2.9 t -78.23 -16.42 57.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -131.55 162.89 29.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 51.5 p -82.15 -42.6 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.61 -45.1 95.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.45 HG22 ' CD1' ' A' ' 25' ' ' PHE . 73.1 m -60.22 -45.07 94.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.542 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.1 ttp -60.57 -57.52 12.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -51.07 -45.21 61.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 27.8 mmm -64.02 -24.4 67.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.885 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -80.14 -40.38 27.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.5 mt -70.49 -26.44 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.48 -8.4 35.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 33' ' ' MET . 20.5 mm-40 -101.99 -40.95 6.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -98.42 -33.85 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.56 ' CE1' HG23 ' A' ' 20' ' ' ILE . 60.4 m-70 -115.96 44.86 1.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.4 t -63.26 -30.81 71.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -91.11 -49.19 6.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -46.45 -44.91 17.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 44' ' ' ALA . 3.3 p -70.23 147.03 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.407 ' N ' HG23 ' A' ' 43' ' ' VAL . . . -93.8 -53.44 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.96 138.0 37.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.422 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 2.1 m-85 -99.95 134.35 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -124.61 125.28 43.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.439 ' C ' ' H ' ' A' ' 50' ' ' HIS . 37.6 t -50.53 127.56 24.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.606 0.717 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 11.5 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.439 ' H ' ' C ' ' A' ' 48' ' ' CYS . 41.3 m-70 -124.91 -71.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.2 p -106.55 176.29 5.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -81.91 81.98 7.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.4 m -135.08 124.65 25.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.4 HG11 ' N ' ' A' ' 55' ' ' ILE . 88.5 t -85.62 140.32 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 56' ' ' ALA . 26.5 mm -127.38 143.46 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.494 ' N ' HG23 ' A' ' 55' ' ' ILE . . . -97.81 -73.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 60' ' ' ASP . 7.4 tpm_? -77.34 108.53 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 57' ' ' ARG . 17.7 tptm -33.26 -44.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -55.21 -48.52 73.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 57' ' ' ARG . 47.9 m-20 -47.67 -40.62 20.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' ASP . 67.9 tp -37.49 -43.36 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.26 -50.17 70.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.464 HG12 ' CD ' ' A' ' 67' ' ' LYS . 57.4 t -52.36 -42.74 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -68.75 -29.82 68.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.2 mt -77.5 -31.9 53.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -84.29 -33.67 23.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.464 ' CD ' HG12 ' A' ' 63' ' ' VAL . 8.6 mtpp -76.58 -71.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -61.53 -48.22 82.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.971 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -107.62 -178.74 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.7 m -121.32 101.92 7.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.907 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.585 0.707 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -2.45 10.2 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 92.8 m-85 -141.79 157.88 44.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -169.3 137.82 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.8 t -71.19 125.68 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -85.83 16.72 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.533 HD13 ' CD2' ' A' ' 39' ' ' HIS . 83.9 mt -112.32 -48.02 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' SG ' ' CB ' ' A' ' 23' ' ' ALA . 26.3 p -117.65 -2.76 11.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 72.76 25.02 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.522 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -79.57 104.22 10.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 -62.44 159.54 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.538 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 85.1 m-85 -151.73 126.93 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 m -69.48 -20.26 63.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -124.2 173.86 8.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 97.5 p -90.69 -52.71 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.8 -49.02 35.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.498 HG22 ' CD1' ' A' ' 25' ' ' PHE . 37.7 m -53.67 -48.91 69.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 111.154 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.538 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 22.5 ttp -57.5 -62.0 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -45.8 -49.81 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.473 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 9.9 mmm -58.98 -32.61 69.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -72.67 -39.39 67.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.0 mt -71.42 -28.97 33.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 1.1 pp -93.72 -8.24 41.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 33' ' ' MET . 40.3 mm-40 -102.03 -40.03 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -98.08 -33.42 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.533 ' CD2' HD13 ' A' ' 20' ' ' ILE . 62.5 m-70 -116.4 43.61 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 t -61.72 -30.63 70.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -96.0 -37.81 10.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -75.45 56.14 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -171.22 147.92 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.97 -73.57 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -89.86 151.08 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -108.06 161.12 15.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -134.06 125.73 28.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.413 ' C ' ' H ' ' A' ' 50' ' ' HIS . 44.0 t -54.63 136.76 63.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.586 0.708 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 7.42 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.414 ' CD2' HD22 ' A' ' 65' ' ' LEU . 55.1 m-70 -129.48 -73.53 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.1 p -97.06 -178.97 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.99 75.05 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.1 m -124.47 117.87 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 55' ' ' ILE . 97.2 t -66.5 133.78 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 56' ' ' ALA . 41.2 mm -125.48 75.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -32.53 -67.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.069 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -79.82 142.15 35.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -64.35 -61.49 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 t -45.78 -42.87 12.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -49.28 -41.09 36.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.7 tp -38.5 -47.09 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -55.02 -61.91 6.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.8 t -41.63 -52.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 111.134 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.525 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 57.1 t60 -57.1 -33.13 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.547 HD21 ' CE1' ' A' ' 71' ' ' TYR . 13.1 mt -75.23 -24.24 57.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -88.08 -35.03 17.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -79.19 -71.37 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.525 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 8.3 mm-40 -56.56 -47.56 79.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -108.72 170.17 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -95.27 111.94 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.547 ' CE1' HD21 ' A' ' 65' ' ' LEU . 5.0 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 26' ' ' THR . 69.3 mttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.561 0.696 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.6 Cg_endo -69.78 1.21 4.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.317 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -127.95 155.8 43.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 44.3 tt0 -160.71 152.82 20.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.435 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 37.6 t -88.0 125.27 34.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -83.45 20.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.569 HG23 ' CE1' ' A' ' 39' ' ' HIS . 77.2 mt -116.17 -52.45 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.166 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.2 p -112.95 -8.01 13.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 74.48 35.57 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.452 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -93.44 110.72 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 15.3 mmt85 -64.44 157.34 26.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.519 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 84.1 m-85 -147.68 126.09 12.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.459 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 4.1 t -68.12 -19.72 64.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -125.07 160.59 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 p -80.98 -45.52 16.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.71 -51.95 51.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.501 HG22 ' CD1' ' A' ' 25' ' ' PHE . 95.4 m -51.49 -45.61 62.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.333 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.519 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 28.3 ttp -59.14 -62.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -46.13 -48.03 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 10.6 mmm -61.61 -34.71 76.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.437 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 40.5 t60 -68.89 -36.71 78.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.449 HG23 ' CD1' ' A' ' 20' ' ' ILE . 53.3 mt -73.44 -31.18 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 1.4 pp -93.0 -10.78 35.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' MET . 29.9 mm-40 -100.26 -40.81 7.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 29.4 mmtt -95.66 -33.37 12.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.569 ' CE1' HG23 ' A' ' 20' ' ' ILE . 63.3 m-70 -118.01 47.29 1.6 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.1 t -63.65 -40.58 97.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -90.82 -27.5 18.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -80.14 42.61 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 44' ' ' ALA . 6.5 p -161.9 144.83 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.419 ' N ' HG22 ' A' ' 43' ' ' VAL . . . -85.36 -70.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -87.6 141.88 28.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -104.82 144.64 31.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -122.49 113.44 19.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.2 t -42.12 135.56 2.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -17.1 37.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -101.72 -64.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.8 p -101.81 -174.26 2.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' THR . 2.3 p30 -86.89 -18.68 30.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' ASP . 92.1 m -32.45 122.26 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.139 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.1 t -84.88 136.73 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 56' ' ' ALA . 18.2 mm -119.45 138.77 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' N ' HG21 ' A' ' 55' ' ' ILE . . . -77.49 -76.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -98.17 150.58 21.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 61' ' ' LEU . 8.6 tptm -57.36 -56.59 19.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 t -38.26 -34.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 61' ' ' LEU . 14.1 t70 -70.97 -42.81 69.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 58' ' ' LYS . 47.8 tp -35.5 -38.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.19 -59.34 8.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.0 t -46.0 -39.04 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.111 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -72.94 -32.63 65.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt -72.89 -27.51 61.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -93.81 -33.38 13.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -76.07 -71.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -62.13 -49.96 73.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -99.26 167.28 10.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -89.47 97.86 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.909 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' CD ' ' HB3' ' A' ' 24' ' ' ARG . 37.0 mttp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.548 0.689 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.26 6.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 69.0 m-85 -129.31 156.41 44.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 19.7 tt0 -164.93 149.41 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.461 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 28.9 t -80.35 127.5 32.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -81.68 19.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.578 HD12 ' CD2' ' A' ' 39' ' ' HIS . 61.1 mt -122.1 -57.06 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.603 ' C ' ' CG ' ' A' ' 22' ' ' HIS . 29.0 p -106.92 12.16 29.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.603 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 1.1 p80 50.22 33.14 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.603 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -86.6 103.57 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HB3' ' CD ' ' A' ' 14' ' ' LYS . 4.7 mmm180 -58.58 156.18 11.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.603 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 85.5 m-85 -149.48 134.37 17.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -90.42 -0.74 57.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -130.27 125.25 34.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.559 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 68.5 p -58.53 -35.2 71.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.02 -44.3 55.33 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.522 HG21 ' CD1' ' A' ' 25' ' ' PHE . 54.6 m -56.0 -51.39 67.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.718 0.295 . . . . 0.0 111.119 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.4 ttp -53.44 -60.11 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -53.04 -37.16 61.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.6 mtm -76.59 -16.89 59.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.495 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 49.1 t60 -84.73 -45.55 12.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.66 -25.67 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.515 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -94.89 -7.97 38.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -99.67 -42.91 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.495 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 10.4 mmpt? -95.06 -35.36 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.578 ' CD2' HD12 ' A' ' 20' ' ' ILE . 54.2 m-70 -114.96 42.11 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 t -54.75 -38.94 67.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 12.6 pt-20 -99.86 -48.62 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.448 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 5.3 m-80 -38.4 -40.13 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.65 152.21 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.84 -59.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -94.7 128.66 41.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.473 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 17.3 m-85 -90.86 159.24 16.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 46' ' ' PHE . 29.3 m-70 -151.24 118.05 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.1 t -38.52 132.98 1.02 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 1.66 4.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -118.37 -67.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.3 p -103.37 -176.35 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.88 91.19 5.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 m -142.25 117.45 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.07 128.91 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.525 ' O ' ' C ' ' A' ' 56' ' ' ALA . 51.6 mm -118.78 76.91 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.525 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -26.84 -72.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -98.47 140.59 32.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 61' ' ' LEU . 13.7 tttp -55.78 -51.25 68.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 94.4 p -40.41 -33.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 61' ' ' LEU . 10.1 t0 -73.87 -38.29 64.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 58' ' ' LYS . 35.1 tp -37.08 -50.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.02 -60.81 8.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.414 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 97.1 t -42.38 -40.11 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -71.78 -38.44 70.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.0 mt -67.09 -33.89 76.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -88.75 -30.83 18.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 19.3 mmmt -74.9 -65.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -66.73 -48.09 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -107.59 179.25 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.0 m -106.64 95.43 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.902 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 25' ' ' PHE . 54.5 mttp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.55 0.691 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.0 Cg_endo -69.74 -1.31 8.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.638 2.226 . . . . 0.0 112.39 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 59.5 m-85 -126.38 160.63 29.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -167.51 140.43 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.5 t -69.48 128.26 35.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -85.32 18.83 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.515 HD11 ' CG ' ' A' ' 39' ' ' HIS . 72.9 mt -115.71 -54.36 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -109.14 -3.34 17.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 68.63 35.2 3.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.587 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -92.26 107.43 19.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 mmm-85 -58.41 157.33 8.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 80.2 m-85 -149.94 118.57 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 t -60.51 -18.3 51.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -129.58 157.86 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 79.7 p -80.68 -44.41 18.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.11 -46.24 79.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.501 HG21 ' CD1' ' A' ' 25' ' ' PHE . 77.7 m -58.87 -46.11 88.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.179 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.519 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 34.2 ttp -61.48 -56.49 19.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -47.63 -48.41 28.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.438 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 8.8 mtm -64.64 -31.48 72.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.423 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 42.1 t60 -68.89 -38.97 80.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.5 mt -71.27 -29.5 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.438 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 0.8 OUTLIER -93.86 -9.0 38.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 33' ' ' MET . 10.0 mm100 -101.74 -39.84 7.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 31.4 mmtt -97.72 -32.64 11.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.515 ' CG ' HD11 ' A' ' 20' ' ' ILE . 62.0 m-70 -117.91 50.48 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.9 t -71.86 -33.58 68.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -86.24 -31.2 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -78.22 47.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.7 p -173.47 146.12 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.13 -57.63 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -80.66 135.1 35.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.578 ' CE1' ' HA ' ' A' ' 57' ' ' ARG . 60.8 m-85 -108.5 148.14 30.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -134.51 136.31 43.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.7 t -64.71 129.33 94.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 4.47 2.2 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -117.38 -72.59 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.4 p -99.01 171.04 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.99 77.92 8.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.2 m -129.65 150.63 50.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -95.53 139.84 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.418 ' CG2' ' HB3' ' A' ' 60' ' ' ASP . 26.9 mm -125.06 130.88 73.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.53 -74.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.578 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -134.7 179.97 5.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -49.64 -68.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.419 ' N ' ' HD3' ' A' ' 57' ' ' ARG . 1.4 t -40.98 -42.87 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 3.0 t70 -60.94 -43.37 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 60' ' ' ASP . 54.2 tp -36.91 -54.37 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -47.08 -63.42 3.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 93.9 t -37.14 -47.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.92 0.39 . . . . 0.0 111.147 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -63.52 -38.81 92.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 62' ' ' GLY . 24.0 mt -67.12 -42.6 84.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -76.03 -31.07 58.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -73.37 -76.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.06 -50.44 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -102.77 179.98 4.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 76.4 p -123.63 96.55 5.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.853 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HB3' ' C ' ' A' ' 25' ' ' PHE . 41.2 mttp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.539 0.685 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 0.92 4.96 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.548 ' CE1' ' OG ' ' A' ' 28' ' ' SER . 65.5 m-85 -129.58 158.11 40.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -169.06 145.37 3.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.9 t -71.09 131.46 43.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -88.14 15.45 7.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.572 HD11 ' CD2' ' A' ' 39' ' ' HIS . 89.6 mt -112.74 -53.8 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.138 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.416 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 31.2 p -107.94 -7.88 16.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.416 ' CD2' ' C ' ' A' ' 21' ' ' CYS . 19.9 m-70 74.68 29.02 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.595 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -84.66 108.26 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -60.04 159.94 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 86.8 m-85 -153.41 122.86 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 t -65.27 -15.71 62.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -131.61 149.33 52.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.548 ' OG ' ' CE1' ' A' ' 16' ' ' TYR . 1.3 t -72.44 -37.14 68.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.17 -50.87 59.48 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.45 HG21 ' CD1' ' A' ' 25' ' ' PHE . 98.1 m -53.44 -41.87 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 111.15 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.492 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 15.3 ttp -67.04 -53.17 33.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -48.4 -45.11 35.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.419 ' SD ' ' CB ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -66.55 -39.8 88.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -59.86 -38.11 81.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.415 HG23 ' CD1' ' A' ' 20' ' ' ILE . 40.6 mt -70.5 -32.36 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.59 -8.01 45.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -99.44 -42.67 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -96.68 -35.31 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.572 ' CD2' HD11 ' A' ' 20' ' ' ILE . 59.5 m-70 -113.76 50.34 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 t -70.52 -30.81 67.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -102.9 -28.02 12.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -76.2 47.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -167.08 148.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.14 -60.39 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HZ3' ' CE1' ' A' ' 47' ' ' HIS . 2.9 ptmm? -89.08 133.0 34.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 57' ' ' ARG . 30.6 m-85 -101.06 107.75 19.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.493 ' CE1' ' HZ3' ' A' ' 45' ' ' LYS . 2.8 m170 -88.68 131.82 34.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.7 t -61.68 137.54 95.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.419 ' CB ' ' SD ' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.71 -32.22 19.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.543 ' NE2' ' CD2' ' A' ' 65' ' ' LEU . 7.8 m-70 -79.44 -67.1 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.74 172.33 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.33 79.79 5.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.6 m -130.98 131.88 44.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.415 HG11 ' N ' ' A' ' 55' ' ' ILE . 62.6 t -78.39 136.01 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 46' ' ' PHE . 14.2 mm -126.57 125.27 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -37.65 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.561 ' HA ' ' CD1' ' A' ' 46' ' ' PHE . 5.2 ptp85 -133.74 179.63 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 61' ' ' LEU . 23.2 tptp -53.88 -62.01 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.9 p -42.4 -35.42 1.02 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.98 -38.12 66.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.47 ' N ' HG23 ' A' ' 55' ' ' ILE . 53.9 tp -45.7 -61.34 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -37.68 -63.56 0.84 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.44 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.1 t -39.86 -45.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 111.103 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -66.6 -33.35 75.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.803 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.543 ' CD2' ' NE2' ' A' ' 50' ' ' HIS . 19.1 mt -70.3 -41.88 72.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -76.59 -32.3 58.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -75.85 -75.17 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -57.79 -49.25 77.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.972 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -105.94 178.24 4.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 90.0 p -115.95 100.56 8.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.892 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mptt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.593 0.711 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.65 3.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.362 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -134.15 156.9 47.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -160.8 147.86 15.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.1 t -79.37 125.56 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -82.73 18.87 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.563 HD13 ' CD2' ' A' ' 39' ' ' HIS . 75.0 mt -116.53 -51.58 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -114.57 3.75 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.2 m170 63.88 30.39 14.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.56 114.89 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.052 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -73.17 143.07 47.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.557 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 90.1 m-85 -137.03 130.77 31.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.8 t -71.54 -21.55 61.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -126.37 155.17 42.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.2 p -77.98 -32.73 51.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.14 -51.17 55.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.451 HG23 ' CD1' ' A' ' 25' ' ' PHE . 88.3 m -56.51 -45.69 80.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.15 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.557 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 59.9 ttp -59.95 -57.67 11.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -47.66 -48.08 29.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.476 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -63.73 -27.22 69.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.541 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 42.7 t60 -75.96 -37.95 58.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.3 mt -71.71 -27.76 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 0.8 OUTLIER -94.97 -10.59 30.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 33' ' ' MET . 19.3 mm-40 -101.64 -37.03 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.541 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 29.7 mmtt -99.05 -30.97 12.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.563 ' CD2' HD13 ' A' ' 20' ' ' ILE . 62.0 m-70 -121.06 48.29 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.0 t -65.51 -41.04 93.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -94.33 -23.22 17.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -82.5 43.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 p -159.52 152.85 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.25 -67.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -88.79 145.21 25.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.566 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 11.1 m-85 -110.12 101.84 10.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' CYS . 16.0 m-70 -83.57 108.56 16.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.436 ' C ' ' H ' ' A' ' 50' ' ' HIS . 30.1 t -37.81 137.48 0.7 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.418 ' CB ' ' SD ' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.78 10.58 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.436 ' H ' ' C ' ' A' ' 48' ' ' CYS . 54.0 m-70 -132.06 -67.45 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.9 p -105.64 179.83 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -91.74 80.16 5.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.7 m -135.04 118.59 16.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 55' ' ' ILE . 84.5 t -71.88 136.13 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.479 ' O ' ' C ' ' A' ' 56' ' ' ALA . 37.7 mm -124.01 82.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -29.65 -71.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -100.51 149.6 23.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HG2' ' CE2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -68.43 -46.74 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 p -40.76 -30.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' LEU . 1.6 t70 -83.67 -37.48 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' LYS . 47.9 tp -38.05 -53.72 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -49.95 -58.21 8.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.523 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.5 t -44.9 -43.27 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 111.164 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -69.07 -38.77 79.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.74 -21.91 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -93.78 -42.97 8.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -73.56 -72.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -57.41 -48.65 78.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -104.86 171.0 7.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.6 t -102.94 97.4 7.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.962 -179.883 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 26' ' ' THR . 49.1 mttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 4.25 2.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 68.7 m-85 -133.85 166.1 23.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -175.05 139.76 0.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.8 t -69.82 124.19 23.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -81.76 18.63 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.56 HG22 ' CE1' ' A' ' 39' ' ' HIS . 58.7 mt -116.48 -52.85 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -111.99 2.58 16.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 65.91 26.98 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.551 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -79.97 102.73 9.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 5.5 mmt85 -61.75 152.96 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 81.5 m-85 -146.08 131.56 18.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.466 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 6.2 t -74.18 -16.55 60.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -133.87 150.95 51.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 95.6 p -72.02 -50.51 27.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.75 -39.3 16.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.519 HG23 ' CD1' ' A' ' 25' ' ' PHE . 60.9 m -69.76 -47.29 63.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 111.137 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.452 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 28.9 ttp -59.21 -52.36 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -57.65 -38.9 75.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.419 ' O ' ' CD ' ' A' ' 37' ' ' GLN . 9.6 mtm -72.7 -15.92 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.541 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 46.7 t60 -85.95 -43.31 13.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.71 -26.42 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.519 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -93.73 -8.19 41.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' CD ' ' O ' ' A' ' 33' ' ' MET . 53.5 mt-30 -100.18 -42.39 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.541 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 10.7 mmpt? -94.84 -34.7 12.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.56 ' CE1' HG22 ' A' ' 20' ' ' ILE . 43.9 m-70 -115.79 45.44 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 t -61.23 -39.26 89.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -100.29 -28.38 13.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -77.67 50.44 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.7 p -165.63 149.64 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.93 -58.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -88.04 129.45 35.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -100.69 150.2 23.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -133.39 138.04 46.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.431 ' C ' ' H ' ' A' ' 50' ' ' HIS . 38.9 t -65.74 129.85 94.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.4 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.77 10.43 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.433 ' NE2' ' CD2' ' A' ' 65' ' ' LEU . 20.6 m-70 -124.45 -71.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.6 p -105.39 164.2 12.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -75.7 78.7 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.3 m -128.06 137.05 52.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 55' ' ' ILE . 95.0 t -89.56 140.67 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.411 ' N ' HG11 ' A' ' 54' ' ' VAL . 25.6 mm -128.94 133.09 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.9 -72.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 ptt-85 -122.13 -178.74 3.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' LEU . 12.0 tptm -62.13 -63.32 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.1 m -38.95 -42.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.02 -44.09 97.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' LYS . 63.2 tp -39.87 -45.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -54.17 -63.31 5.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.8 t -37.82 -44.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 111.092 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -68.33 -37.79 80.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' GLY . 14.8 mt -63.06 -40.49 97.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -81.62 -35.95 29.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -67.98 -61.93 1.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -72.22 -50.32 28.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -107.85 177.74 4.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.0 m -106.48 95.53 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.896 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 26' ' ' THR . 33.0 mttt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.569 0.699 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -1.65 8.79 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.485 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 63.6 m-85 -127.68 159.34 35.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.94 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -169.22 143.83 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 t -75.9 122.66 24.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -81.21 19.09 0.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.585 HG21 ' CE1' ' A' ' 39' ' ' HIS . 77.8 mt -117.71 -51.9 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.1 p -111.28 2.25 17.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 63.67 33.49 13.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.514 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -89.05 106.99 18.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.463 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 12.7 mmt85 -65.51 150.58 48.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 96.5 m-85 -145.75 139.75 26.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.472 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 9.0 t -99.88 17.21 21.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.127 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -147.4 111.22 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.485 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 78.9 p -45.29 -39.29 6.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.67 -44.55 81.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.482 HG21 ' CD1' ' A' ' 25' ' ' PHE . 50.8 m -58.22 -54.58 45.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.34 . . . . 0.0 111.127 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 26.2 ttp -50.37 -56.79 9.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -54.29 -45.84 72.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.6 mtm -64.6 -23.57 67.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.509 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 50.8 t60 -78.49 -45.78 21.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.97 -25.09 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.68 -7.28 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.414 ' C ' ' HE2' ' A' ' 38' ' ' LYS . 19.5 mm-40 -100.8 -43.07 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.509 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 10.7 mmpt? -94.37 -34.3 12.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.585 ' CE1' HG21 ' A' ' 20' ' ' ILE . 35.6 m-70 -116.48 42.48 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.7 t -56.25 -38.74 71.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -99.35 -30.51 12.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -77.15 57.34 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 p -170.1 147.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.26 -68.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -83.03 135.75 34.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -101.29 101.86 12.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -84.63 126.09 33.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.5 t -55.35 134.38 69.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.66 0.743 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 7.31 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -126.36 -72.38 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.9 p -97.23 169.25 9.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.5 69.49 10.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.8 m -122.26 139.33 53.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.475 HG11 ' N ' ' A' ' 55' ' ' ILE . 96.8 t -89.4 138.42 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.475 ' N ' HG11 ' A' ' 54' ' ' VAL . 21.5 mm -126.5 129.81 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.94 -76.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.25 175.01 7.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' LEU . 26.8 tptp -54.06 -66.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' LYS . 14.9 p -36.87 -41.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.77 -43.3 96.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 58' ' ' LYS . 58.8 tp -40.12 -53.36 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -45.49 -58.73 5.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 96.1 t -41.96 -44.34 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 111.116 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.413 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 55.9 t60 -67.94 -33.39 74.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' GLY . 26.9 mt -73.95 -26.61 60.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -88.38 -39.95 13.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -75.55 -74.18 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.413 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 4.2 mm100 -56.5 -47.13 79.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -106.39 173.34 6.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.4 t -113.13 103.59 11.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.863 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 25' ' ' PHE . 38.5 mttp . . . . . 0 C--O 1.23 0.056 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.726 2.284 . . . . 0.0 112.29 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 71.9 m-85 -132.44 156.09 47.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -165.72 139.51 4.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -71.73 123.55 22.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -81.84 16.34 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.557 ' CG2' ' CE1' ' A' ' 39' ' ' HIS . 86.8 mt -111.94 -49.29 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.9 p -117.14 1.56 12.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 66.55 30.79 8.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.594 ' O ' ' CE2' ' A' ' 25' ' ' PHE . . . -83.85 105.07 14.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 6.8 mmt85 -62.55 154.07 29.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 23' ' ' ALA . 95.9 m-85 -151.17 128.5 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 t -71.78 -17.37 62.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -126.92 158.04 37.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 94.1 p -82.06 -48.67 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -51.8 -43.19 54.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -64.23 -44.49 91.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.347 . . . . 0.0 111.166 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.468 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 40.0 ttp -66.07 -55.56 15.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -47.25 -45.84 23.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 8.4 mtm -65.11 -40.13 94.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.451 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 27.6 t60 -60.76 -36.36 78.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.3 mt -70.86 -34.66 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 1.4 pp -90.56 -11.69 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -96.81 -37.15 10.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 30.9 mmtt -99.77 -35.57 9.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.557 ' CE1' ' CG2' ' A' ' 20' ' ' ILE . 59.4 m-70 -115.42 46.01 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 t -59.5 -39.46 83.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -93.93 -31.33 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -77.87 54.33 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.9 p -170.62 146.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.17 -68.06 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -80.96 133.66 35.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.552 ' CE1' ' HA ' ' A' ' 57' ' ' ARG . 57.1 m-85 -100.45 101.73 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -83.65 129.98 34.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.4 t -57.52 135.07 82.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -21.43 33.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.391 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.621 ' CD2' ' CD2' ' A' ' 65' ' ' LEU . 16.9 m-70 -92.49 -67.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 p -105.0 178.97 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.29 81.18 3.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.7 m -133.26 141.42 48.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.0 t -84.22 137.02 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.418 HG23 ' CA ' ' A' ' 61' ' ' LEU . 17.2 mm -128.0 128.68 69.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.53 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.552 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 13.2 ptm180 -135.7 -176.77 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 61' ' ' LEU . 13.4 tptm -54.52 -68.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' LYS . 7.7 m -38.08 -44.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -41.06 98.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 58' ' ' LYS . 20.6 tp -45.13 -61.85 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' LEU . . . -36.43 -59.25 1.03 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.7 t -41.78 -45.13 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -71.73 -41.03 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.621 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 35.2 mt -65.75 -23.7 66.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -93.74 -42.02 9.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 2.6 mptt -70.66 -71.83 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -59.89 -48.29 82.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -103.59 -175.57 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.9 m -104.59 103.97 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.474 ' OH ' ' CE1' ' A' ' 50' ' ' HIS . 4.7 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mptt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.637 0.732 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.97 3.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.716 2.278 . . . . 0.0 112.364 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 81.1 m-85 -135.32 154.28 51.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -162.93 141.3 8.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 t -73.09 123.65 24.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -83.23 16.46 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.622 ' CG2' ' CE1' ' A' ' 39' ' ' HIS . 90.4 mt -112.97 -51.42 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.468 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 13.1 p -110.1 -10.78 14.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.468 ' CD2' ' C ' ' A' ' 21' ' ' CYS . 16.1 m-70 74.86 37.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.605 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -97.32 107.11 19.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -58.94 156.17 12.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 87.2 m-85 -150.25 130.23 13.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -86.7 3.39 45.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -136.0 122.73 21.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.573 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 89.8 p -56.28 -37.58 70.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.98 -51.9 36.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.512 HG21 ' CD1' ' A' ' 25' ' ' PHE . 75.8 m -50.43 -51.54 45.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.4 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.7 ttp -52.4 -61.09 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -51.24 -38.57 53.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.488 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 21.8 mtm -71.5 -21.61 61.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.44 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 35.9 t60 -82.25 -39.78 22.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.5 mt -67.5 -30.32 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.52 -7.31 55.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 33' ' ' MET . 54.3 mt-30 -102.15 -41.96 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 29.8 mmtt -97.66 -30.68 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.622 ' CE1' ' CG2' ' A' ' 20' ' ' ILE . 61.1 m-70 -119.97 46.03 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.401 ' CB ' ' HZ1' ' A' ' 58' ' ' LYS . 3.4 t -64.21 -34.11 77.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 19.2 pt-20 -89.44 -49.6 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.405 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 6.0 t-20 -42.2 -45.75 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.413 HG22 ' N ' ' A' ' 44' ' ' ALA . 3.1 p -73.77 144.26 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.413 ' N ' HG22 ' A' ' 43' ' ' VAL . . . -87.23 -63.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' HE3' ' CG1' ' A' ' 54' ' ' VAL . 15.5 tttp -93.01 141.62 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.575 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 10.6 m-85 -102.39 146.71 27.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.555 ' CE1' HG21 ' A' ' 54' ' ' VAL . 31.6 m-70 -137.64 134.89 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.437 ' C ' ' H ' ' A' ' 50' ' ' HIS . 44.3 t -58.43 125.68 76.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 9.82 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.377 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' A' ' 48' ' ' CYS . 40.7 m-70 -123.48 -71.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.3 p -107.51 177.92 4.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -83.03 85.65 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.4 m -136.09 112.12 9.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.555 HG21 ' CE1' ' A' ' 47' ' ' HIS . 96.6 t -74.14 133.66 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.4 mm -122.28 136.21 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.68 -70.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.47 158.03 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.575 ' HG2' ' CE2' ' A' ' 46' ' ' PHE . 0.7 OUTLIER -65.31 -50.49 65.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -40.93 -31.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.01 -38.12 16.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 58' ' ' LYS . 58.8 tp -38.48 -51.67 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -49.6 -57.84 9.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.3 t -40.94 -42.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 111.144 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.457 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 54.3 t60 -69.48 -38.71 77.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.429 ' HB3' ' CD1' ' A' ' 71' ' ' TYR . 20.8 mt -70.33 -28.43 65.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.3 mtm-85 -85.59 -42.89 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -74.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.457 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 38.3 mm-40 -56.35 -49.09 75.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -106.86 -176.92 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.5 m -104.25 106.41 16.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.429 ' CD1' ' HB3' ' A' ' 65' ' ' LEU . 12.4 m-85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -169.04 108.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 p -136.57 175.54 9.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.91 116.49 0.38 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -153.91 139.78 18.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.8 p -117.79 151.0 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.63 85.11 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -141.5 110.92 6.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 78.2 m -130.13 130.51 44.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -156.29 117.92 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.819 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.9 p -58.73 130.35 46.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.24 117.0 4.16 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.553 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.69 131.66 53.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.913 0.387 . . . . 0.0 110.903 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -150.94 104.98 3.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 2.86 3.19 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.633 2.222 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 61.1 m-85 -130.91 155.84 46.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -163.27 145.08 9.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.3 t -79.6 124.57 28.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -83.11 16.91 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.556 HG21 ' CE1' ' A' ' 39' ' ' HIS . 78.7 mt -113.93 -47.87 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 p -116.54 -6.62 11.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 73.65 27.12 1.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.584 ' O ' ' CE2' ' A' ' 25' ' ' PHE . . . -83.05 108.41 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -63.23 156.13 26.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 23' ' ' ALA . 97.2 m-85 -151.65 135.21 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -90.53 0.84 57.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -131.72 129.06 40.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.522 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 93.9 p -61.67 -34.54 75.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.58 -48.34 29.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.53 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.436 HG21 ' CD1' ' A' ' 25' ' ' PHE . 93.3 m -53.74 -48.59 69.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.147 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.424 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.4 ttp -56.15 -61.85 2.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -47.4 -42.87 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.477 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 15.4 mtm -69.28 -28.08 65.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -73.0 -41.69 64.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.3 mt -65.83 -30.02 48.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 1.0 OUTLIER -92.29 -9.68 41.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -97.06 -41.19 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -97.58 -32.32 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.556 ' CE1' HG21 ' A' ' 20' ' ' ILE . 50.2 m-70 -118.89 57.8 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.4 t -77.61 -30.98 52.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -97.3 -25.08 15.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -85.21 44.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 44' ' ' ALA . 3.4 p -160.98 133.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.424 ' N ' HG22 ' A' ' 43' ' ' VAL . . . -81.41 -61.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -85.01 145.4 27.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.575 ' CE1' ' HA ' ' A' ' 57' ' ' ARG . 55.8 m-85 -112.63 134.46 54.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -116.39 142.3 47.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.3 t -68.47 126.94 93.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.415 ' NE2' HD23 ' A' ' 65' ' ' LEU . 28.0 m-70 -116.3 -71.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 p -103.41 174.55 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -89.22 91.29 8.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.6 m -145.86 142.54 28.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.2 t -84.0 142.72 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.8 mm -130.41 122.61 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -41.0 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.575 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 1.3 ptm180 -131.57 172.0 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.433 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 6.3 ttmt -52.44 -61.29 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.3 p -41.72 -38.42 1.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.45 -41.11 85.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 58' ' ' LYS . 55.0 tp -39.79 -57.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -41.23 -53.31 4.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.8 t -49.09 -46.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -66.51 -39.09 88.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 71' ' ' TYR . 16.7 mt -65.9 -25.57 67.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -91.45 -41.27 10.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -71.69 -74.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -59.46 -49.84 76.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -103.22 -177.04 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.3 t -117.8 92.68 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.568 ' CD1' HD22 ' A' ' 65' ' ' LEU . 11.3 m-85 -128.75 87.83 2.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 t -160.27 160.79 33.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.92 136.54 35.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 84.97 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 m -119.62 139.64 51.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 74.8 m -88.49 85.17 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.519 -179.963 . . . . . . . . 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 1.452 -0.274 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -167.33 138.68 3.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.906 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -151.6 172.41 16.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.72 112.54 1.32 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 p -170.05 149.04 3.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.1 t -121.67 153.44 38.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.89 70.85 0.19 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -85.46 41.86 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.7 p -43.02 110.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -63.25 85.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -98.18 114.78 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.93 62.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.433 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 5.6 tt0 -85.63 -40.34 16.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HD2' ' C ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -150.33 105.92 3.14 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.18 2.91 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.371 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.506 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 76.4 m-85 -134.56 157.24 47.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -162.73 139.82 7.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.7 t -73.49 124.48 25.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -82.47 19.33 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.56 HD11 ' CD2' ' A' ' 39' ' ' HIS . 74.4 mt -116.53 -51.48 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.1 p -114.03 3.05 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 62.72 32.97 15.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -87.52 112.58 22.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -66.9 149.57 50.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.547 ' CD1' HG23 ' A' ' 30' ' ' THR . 86.5 m-85 -144.36 140.24 28.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.9 t -98.47 16.79 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -150.21 118.48 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 85.2 p -50.34 -38.46 42.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.22 -50.7 43.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.547 HG23 ' CD1' ' A' ' 25' ' ' PHE . 85.2 m -51.7 -51.81 53.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.821 0.343 . . . . 0.0 111.139 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.8 ttp -54.23 -62.32 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -45.78 -46.29 15.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.468 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 10.2 mtm -65.03 -39.26 93.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -62.09 -38.92 90.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.432 HG21 ' CD1' ' A' ' 20' ' ' ILE . 45.3 mt -69.42 -30.84 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 0.7 OUTLIER -92.05 -8.4 46.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -99.42 -41.98 7.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -98.11 -30.7 12.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.56 ' CD2' HD11 ' A' ' 20' ' ' ILE . 57.2 m-70 -119.36 48.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 t -66.09 -31.3 72.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.2 -50.19 5.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -46.7 -44.13 18.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.3 147.85 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.99 -64.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -94.55 132.2 39.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 4.3 m-85 -91.51 103.74 16.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -90.19 115.18 27.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.5 t -41.93 134.6 2.32 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 0.64 5.34 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.617 ' CD2' ' CD2' ' A' ' 65' ' ' LEU . 35.6 m-70 -118.34 -70.25 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.3 p -101.2 -178.57 3.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -97.36 75.07 2.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 m -125.6 121.78 34.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.1 t -72.58 125.66 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 16.1 mm -118.2 137.92 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.17 -75.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.051 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.42 117.53 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -47.87 -51.32 23.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.1 t -56.14 -48.05 77.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 61' ' ' LEU . 4.9 m-20 -48.35 -41.66 29.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' ASP . 68.0 tp -37.19 -44.66 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.11 -51.51 57.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.512 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.6 t -48.38 -40.95 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.536 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 58.6 t60 -69.53 -32.01 70.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.617 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 18.0 mt -73.33 -33.96 65.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -87.33 -27.63 22.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -79.4 -66.86 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.536 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 18.3 mm-40 -65.17 -46.82 79.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -107.62 167.57 9.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.6 t -89.31 98.81 11.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -134.99 28.07 3.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -107.16 101.7 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.64 65.82 0.47 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.84 3.19 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.672 2.248 . . . . 0.0 112.321 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.0 t 72.5 41.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.2 m -65.67 166.68 10.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.533 179.991 . . . . . . . . 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 -0.327 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 3' ' ' SER . 4.0 t -101.06 134.56 43.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 110.849 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 2' ' ' SER . 22.6 t -34.93 135.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.79 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.63 -75.56 0.42 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p -79.51 160.81 26.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -127.37 -49.09 1.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.12 164.85 15.08 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.1 mmm-85 -96.36 141.31 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.5 p -136.37 154.76 50.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -74.54 137.97 42.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 m -128.04 151.76 48.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.76 179.39 36.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -127.29 116.39 20.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.398 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -145.72 104.97 4.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.549 0.69 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -0.23 6.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.311 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 64.2 m-85 -127.6 151.9 48.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -161.02 147.83 15.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 t -80.09 125.19 29.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -83.05 18.67 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.582 HD13 ' CD2' ' A' ' 39' ' ' HIS . 76.0 mt -116.12 -50.65 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' SG ' ' CB ' ' A' ' 23' ' ' ALA . 28.0 p -115.0 0.73 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 67.82 26.42 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.45 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -79.49 112.68 16.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -69.6 153.77 42.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.496 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 97.3 m-85 -149.07 130.96 15.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 t -74.85 -13.92 60.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -132.48 160.37 36.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 79.5 p -83.4 -33.35 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.6 -44.72 94.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.5 m -65.37 -36.64 84.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.496 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 32.4 ttp -71.43 -54.28 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -50.83 -46.24 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.456 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 9.1 mtt -65.03 -33.04 75.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -69.19 -36.46 77.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 53.7 mt -73.97 -30.4 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -93.8 -7.89 42.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 33' ' ' MET . 13.3 mm-40 -101.75 -41.63 6.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -96.07 -33.87 11.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.582 ' CD2' HD13 ' A' ' 20' ' ' ILE . 61.5 m-70 -116.37 45.21 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.3 t -63.04 -34.77 78.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -91.36 -34.95 14.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -79.78 44.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.3 p -160.7 143.66 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.82 -54.13 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -83.83 109.98 17.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 58' ' ' LYS . 75.7 m-85 -86.96 108.09 18.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -89.75 129.31 36.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.0 t -58.27 128.72 82.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 3.73 2.59 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.643 2.229 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -118.58 -71.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.7 p -103.22 -177.48 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -96.0 73.36 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.6 m -123.13 135.08 54.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.9 132.05 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.1 mm -122.13 123.04 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.24 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.4 ' HA ' ' CE2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -129.54 177.52 7.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 46' ' ' PHE . 9.0 mmtp -59.41 -59.41 5.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.5 t -42.94 -28.33 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.64 -33.03 18.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 58' ' ' LYS . 43.7 tp -43.14 -49.05 6.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -51.84 -60.88 6.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.447 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.423 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 93.8 t -38.04 -41.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -71.29 -38.09 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 62' ' ' GLY . 39.6 mt -67.62 -39.47 84.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -80.87 -32.46 34.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 16.7 mmtp -73.56 -68.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -66.1 -50.18 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -104.52 178.52 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.8 t -114.5 105.73 13.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -139.18 105.25 5.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.8 p -127.71 125.38 39.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -43.72 -69.33 0.69 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -178.8 2.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.624 2.216 . . . . 0.0 112.375 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.2 m -86.73 -43.09 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 m -131.17 -58.1 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.457 -179.995 . . . . . . . . 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 -0.303 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -168.91 130.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.384 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -171.99 168.5 5.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.69 87.61 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 38.9 t -77.06 -49.0 16.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 6.3 t -36.34 128.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.1 48.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.531 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 42.64 40.79 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 110.899 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.7 m -155.71 119.63 4.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -112.23 -53.31 2.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 m -158.99 157.59 31.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.81 -150.6 12.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.496 ' CD ' ' N ' ' A' ' 13' ' ' GLU . 1.0 OUTLIER -125.11 77.81 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.912 0.387 . . . . 0.0 110.854 -179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 30.7 mttp -142.15 106.58 5.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.702 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 0.94 4.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.298 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.486 ' CD1' ' HE2' ' A' ' 31' ' ' MET . 54.8 m-85 -128.16 154.77 45.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -161.21 140.08 10.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.0 t -74.29 124.97 27.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -82.8 18.8 1.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.574 HD12 ' CD2' ' A' ' 39' ' ' HIS . 75.3 mt -116.99 -51.92 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -112.03 -0.17 15.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 66.17 29.86 9.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.41 115.22 23.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.074 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 12.3 mmt85 -70.06 150.63 46.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.535 ' CD1' HG21 ' A' ' 30' ' ' THR . 90.5 m-85 -145.56 134.62 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.831 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.458 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 15.2 t -95.07 24.46 4.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -157.51 119.34 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 94.8 p -50.44 -41.12 52.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.68 -51.97 47.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.535 HG21 ' CD1' ' A' ' 25' ' ' PHE . 88.0 m -50.21 -51.58 42.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.167 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.486 ' HE2' ' CD1' ' A' ' 16' ' ' TYR . 18.9 ttp -52.96 -63.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -46.41 -46.24 18.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.501 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 12.6 mmm -64.89 -28.14 69.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -76.52 -35.88 58.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.8 mt -73.9 -29.54 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.453 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -93.67 -7.86 42.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 33' ' ' MET . 27.3 mm-40 -101.44 -41.86 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -95.92 -32.27 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.574 ' CD2' HD12 ' A' ' 20' ' ' ILE . 61.6 m-70 -117.3 44.25 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 t -62.48 -35.07 78.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -94.99 -26.58 16.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -82.62 44.72 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.485 HG22 ' N ' ' A' ' 44' ' ' ALA . 4.9 p -164.33 138.28 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.485 ' N ' HG22 ' A' ' 43' ' ' VAL . . . -79.25 -70.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -85.55 160.73 19.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -119.72 161.36 20.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -136.58 129.88 31.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.4 t -58.96 129.52 85.83 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 6.59 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.338 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 43.2 m-70 -122.98 -71.74 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.1 p -103.94 -179.56 3.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.27 84.29 5.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.5 m -136.2 110.07 8.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.1 129.56 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 56' ' ' ALA . 16.8 mm -119.59 143.83 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.463 ' N ' HG22 ' A' ' 55' ' ' ILE . . . -103.54 -73.21 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -73.22 123.38 23.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -55.41 -55.13 35.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.5 m -46.11 -36.53 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' LEU . 72.6 m-20 -68.67 -40.13 80.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 60' ' ' ASP . 66.8 tp -37.45 -47.76 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.14 -50.76 57.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.457 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 97.0 t -52.05 -39.44 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.555 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 51.1 t60 -71.76 -31.58 66.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 mt -71.76 -33.18 68.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -90.05 -35.92 15.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 6.3 mmpt? -68.42 -53.03 26.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.555 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 37.1 mm-40 -81.02 -50.28 9.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' A' ' 50' ' ' HIS . 30.2 m-70 -106.05 167.5 9.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.9 m -87.95 115.75 25.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -148.36 142.57 26.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.3 m -115.14 142.23 46.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -47.86 165.12 0.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 103.42 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.741 2.294 . . . . 0.0 112.364 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -92.79 99.44 12.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.8 t -85.6 122.16 29.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.478 -179.974 . . . . . . . . 0 0 . 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 1.452 -0.293 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m -152.89 163.06 40.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -93.99 -50.21 5.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.67 119.97 1.67 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 p -120.13 123.27 42.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 p -158.76 152.51 23.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.46 52.11 0.4 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -76.98 155.43 32.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.0 m -134.94 138.82 44.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.443 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 40.5 t60 -117.71 83.53 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.1 p -119.39 158.77 25.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.55 -172.2 20.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -125.22 -49.86 1.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.878 0.37 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -145.76 105.04 4.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.94 2.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 60.1 m-85 -132.15 155.91 47.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -162.64 145.3 10.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.6 t -79.38 124.22 28.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -81.49 16.7 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.57 HD11 ' CD2' ' A' ' 39' ' ' HIS . 76.3 mt -114.8 -52.82 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 p -109.94 -8.03 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 72.5 30.23 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.588 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -86.91 108.89 18.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -61.57 153.58 27.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 92.5 m-85 -148.2 136.59 21.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 t -94.06 8.11 42.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -140.73 121.94 14.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 90.2 p -56.35 -34.17 66.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.0 -51.19 29.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 25' ' ' PHE . 96.7 m -53.34 -49.92 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 111.177 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.44 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 17.6 ttp -54.57 -60.58 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -49.86 -38.0 33.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.498 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 12.6 mtm -74.34 -27.1 60.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -73.76 -39.76 63.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mt -70.61 -26.99 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 0.9 OUTLIER -94.93 -8.08 38.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 33' ' ' MET . 51.4 mt-30 -99.98 -41.77 7.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.97 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -98.47 -34.91 10.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.57 ' CD2' HD11 ' A' ' 20' ' ' ILE . 59.5 m-70 -113.5 46.39 1.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 t -65.52 -34.72 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -97.52 -24.59 15.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -81.74 39.84 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 p -158.57 146.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.93 -57.51 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -87.7 136.57 32.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 58' ' ' LYS . 80.9 m-85 -104.36 141.52 36.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -123.5 136.7 54.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.5 t -65.75 129.23 94.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 2.54 3.45 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.539 ' CD2' ' CD2' ' A' ' 65' ' ' LEU . 36.0 m-70 -116.47 -72.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.3 p -102.94 177.23 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -90.56 76.65 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.6 m -128.7 124.98 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.28 136.45 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 23.1 mm -122.84 125.16 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.64 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.28 170.79 8.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 3.6 ttmm -63.53 -56.26 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.4 t -42.11 -36.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.12 -36.57 64.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 58' ' ' LYS . 14.2 tp -43.04 -60.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -39.32 -58.46 2.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.1 t -42.52 -43.62 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -71.09 -39.19 72.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.539 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 28.2 mt -66.67 -28.04 68.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -89.93 -36.56 14.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -73.13 -71.76 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -61.4 -46.97 87.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -107.62 -175.86 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.545 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 39.8 t -109.61 130.61 55.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 70' ' ' SER . 10.7 m-85 -151.84 122.61 7.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 99.2 p -151.51 153.58 34.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.88 162.52 28.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 94.1 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.372 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.6 m -115.73 80.75 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 t -115.81 85.45 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.508 179.998 . . . . . . . . 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 -0.303 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m 64.69 43.77 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.371 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 m -128.39 169.35 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.26 -100.98 0.33 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.536 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m 57.3 44.58 21.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.872 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.8 p -52.14 140.4 21.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.69 151.56 6.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.1 mtt85 -132.59 170.32 15.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.918 0.39 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.9 p -122.58 117.05 24.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -93.73 81.75 4.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -114.77 -52.24 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.77 89.93 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -105.5 -41.29 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 110.93 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' N ' ' HG2' ' A' ' 13' ' ' GLU . 71.0 mttt -148.1 105.6 3.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -0.38 6.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.377 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 67.7 m-85 -128.11 150.62 49.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -160.48 142.8 12.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.9 t -76.29 123.28 25.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -82.65 18.42 1.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.552 HD13 ' CD2' ' A' ' 39' ' ' HIS . 79.1 mt -113.41 -49.15 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.436 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 30.2 p -117.16 -5.72 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.436 ' CD2' ' C ' ' A' ' 21' ' ' CYS . 17.4 m-70 73.81 30.15 1.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -85.56 107.13 17.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 20.5 mmt180 -63.22 156.07 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.527 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 83.2 m-85 -147.53 131.14 16.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.403 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -72.87 -16.23 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -131.32 167.07 19.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 76.4 p -86.69 -49.76 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -50.57 -45.08 47.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.491 HG23 ' CD1' ' A' ' 25' ' ' PHE . 91.6 m -61.25 -47.87 84.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 111.108 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.527 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 40.2 ttp -59.87 -55.46 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -50.18 -45.85 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.49 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -65.25 -33.01 74.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -68.96 -37.82 79.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.3 mt -72.58 -31.77 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.08 -8.15 46.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 33' ' ' MET . 12.5 mm100 -101.71 -41.48 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -95.96 -33.23 12.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.552 ' CD2' HD13 ' A' ' 20' ' ' ILE . 61.5 m-70 -117.45 44.29 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 t -60.23 -37.94 81.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -98.74 -24.63 14.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -81.47 41.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.9 p -151.91 152.95 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.29 -68.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -92.45 140.25 29.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -106.1 102.06 11.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -83.42 116.34 22.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -44.87 136.32 4.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 5.25 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.433 ' CD2' ' CD2' ' A' ' 65' ' ' LEU . 48.1 m-70 -124.29 -65.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.9 p -106.99 -177.38 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.55 82.22 3.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.4 m -142.64 115.72 8.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 81.9 t -64.08 141.0 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 56' ' ' ALA . 38.1 mm -125.77 80.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -36.79 -72.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.6 ttp85 -72.03 130.75 41.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -57.77 -66.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.5 t -39.68 -55.77 1.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -38.48 -40.12 0.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.7 tp -38.15 -49.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.04 -56.06 25.01 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.1 t -47.12 -44.83 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -67.78 -26.32 66.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.433 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 35.1 mt -78.14 -26.38 47.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -91.37 -32.65 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -77.0 -70.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -60.24 -45.95 91.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -109.19 -179.93 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.3 m -101.25 103.78 14.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -132.13 41.33 3.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.0 t -117.17 41.83 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.28 113.05 5.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.03 41.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.4 m -75.24 107.23 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 t 52.06 42.64 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.815 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.507 179.998 . . . . . . . . 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 1.452 -0.267 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -75.33 157.8 33.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -95.73 135.49 37.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.827 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.41 -98.61 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 m -157.74 126.4 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -88.86 87.88 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.81 135.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.448 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.0 ptt-85 -69.92 140.08 53.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.6 m -76.48 136.88 39.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -127.46 115.14 18.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.2 m -122.77 169.33 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 13' ' ' GLU . . . 169.97 -133.34 2.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' GLY . 12.8 pt-20 -35.21 141.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.876 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HB3' ' C ' ' A' ' 25' ' ' PHE . 54.7 mttp -132.39 96.63 18.9 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.557 0.694 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 4.86 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.374 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 73.7 m-85 -129.99 151.57 50.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 28.2 tt0 -163.59 148.71 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 43.6 t -78.95 126.96 31.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -84.43 14.57 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.569 HD12 ' CD2' ' A' ' 39' ' ' HIS . 90.4 mt -111.81 -52.4 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.2 p -109.3 -3.05 17.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 66.21 36.3 5.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.594 ' O ' ' CE2' ' A' ' 25' ' ' PHE . . . -94.85 107.97 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -60.08 161.05 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 23' ' ' ALA . 88.8 m-85 -153.22 126.48 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 t -71.45 -15.96 62.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -123.11 154.5 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 54.1 p -78.1 -53.77 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.45 -50.99 28.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.569 HG23 ' CD1' ' A' ' 25' ' ' PHE . 90.4 m -52.27 -50.2 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.731 0.3 . . . . 0.0 111.121 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.4 ttp -58.1 -62.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.458 ' CB ' ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -47.35 -47.41 25.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.412 ' HG3' ' CB ' ' A' ' 49' ' ' PRO . 32.1 mtm -63.44 -40.75 97.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -59.36 -38.63 80.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.5 mt -69.57 -32.68 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.88 -8.13 47.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -98.37 -38.85 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -101.94 -34.98 9.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.569 ' CD2' HD12 ' A' ' 20' ' ' ILE . 58.6 m-70 -114.0 50.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 t -69.69 -33.89 73.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.87 -32.8 12.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -75.45 50.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 44' ' ' ALA . 14.4 p -170.28 144.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.459 ' N ' HG23 ' A' ' 43' ' ' VAL . . . -85.15 -66.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -95.65 151.38 19.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -108.0 160.39 15.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -136.23 121.44 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.409 ' C ' ' H ' ' A' ' 50' ' ' HIS . 42.9 t -47.08 130.13 9.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.717 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.458 ' HA ' ' CB ' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.78 8.63 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.437 ' CB ' ' CE1' ' A' ' 69' ' ' HIS . 44.2 m-70 -124.2 -70.95 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.7 p -104.64 174.09 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -83.23 81.47 8.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.4 m -131.84 114.49 14.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 99.8 t -72.37 126.98 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 56' ' ' ALA . 35.3 mm -119.59 143.55 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.46 ' N ' HG23 ' A' ' 55' ' ' ILE . . . -106.61 -75.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -68.49 112.88 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -46.37 -46.95 18.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 t -52.59 -39.23 61.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.39 -39.04 88.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.0 tp -38.76 -42.43 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.85 -48.12 83.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.2 t -52.37 -43.05 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 111.109 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.55 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 59.5 t60 -68.81 -32.19 71.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.18 -33.49 65.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -82.62 -35.88 26.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -72.73 -70.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.55 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 10.2 mm100 -62.46 -48.18 80.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.437 ' CE1' ' CB ' ' A' ' 50' ' ' HIS . 28.5 m-70 -109.67 -176.24 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.4 t -110.84 102.43 10.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -129.19 39.96 3.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.6 p -107.38 147.04 30.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.75 129.95 4.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -8.14 22.85 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.349 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.6 p -87.37 161.6 17.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.6 p -173.43 117.71 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.464 179.954 . . . . . . . . 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 -0.333 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -139.71 106.94 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -141.84 116.4 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.76 172.25 43.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -144.31 168.5 19.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.905 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -142.86 160.42 40.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.73 42.39 1.4 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -144.69 142.89 30.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.3 p -136.54 119.61 16.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -72.96 109.9 6.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.4 p -155.46 154.77 32.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.17 169.13 20.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.441 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 15.8 tp10 -84.31 33.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.946 0.403 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HD2' ' C ' ' A' ' 13' ' ' GLU . 1.6 mptt -156.22 107.88 2.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.565 0.698 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 0.64 5.4 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 63.3 m-85 -129.33 158.55 38.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -164.05 138.5 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 t -72.68 122.96 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -81.79 21.15 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.582 HG21 ' CE1' ' A' ' 39' ' ' HIS . 64.7 mt -117.93 -53.4 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 p -111.52 -0.21 16.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 67.9 31.19 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.56 112.94 21.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -70.41 144.16 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.458 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 91.4 m-85 -138.87 129.8 26.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -73.98 -18.14 60.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.153 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -127.37 146.7 50.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 97.4 p -67.71 -50.66 56.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.808 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.61 -55.53 10.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.444 HG23 ' CD1' ' A' ' 25' ' ' PHE . 28.9 m -50.46 -50.37 52.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 111.157 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.458 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 37.5 ttp -58.27 -61.92 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -44.84 -47.4 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.5 mtm -63.63 -37.21 86.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -63.07 -40.55 98.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.6 mt -68.02 -29.35 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -94.74 -8.08 38.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -99.83 -39.55 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -100.62 -34.14 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.582 ' CE1' HG21 ' A' ' 20' ' ' ILE . 46.6 m-70 -114.52 41.4 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 t -56.87 -42.5 79.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 16.2 pt-20 -93.89 -49.01 6.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.44 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 6.5 m120 -40.78 -38.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 39' ' ' HIS . 7.3 p -80.07 149.74 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.78 -58.82 2.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -97.86 132.71 43.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.402 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 2.9 m-85 -92.08 161.54 14.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' CYS . 8.7 m-70 -150.65 116.91 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' HIS . 44.6 t -35.86 133.82 0.54 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 5.39 1.73 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.401 ' NE2' ' OH ' ' A' ' 71' ' ' TYR . 41.5 m-70 -125.3 -68.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.0 p -99.59 176.08 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 16.7 p-10 -91.58 91.2 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.3 m -141.59 124.51 16.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.67 126.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.511 ' O ' ' C ' ' A' ' 56' ' ' ALA . 51.5 mm -118.42 77.22 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -28.07 -74.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.01 145.71 24.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 61' ' ' LEU . 12.0 tptp -55.54 -56.62 18.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 58' ' ' LYS . 4.2 m -36.74 -55.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -44.69 -42.95 8.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.461 ' N ' HG23 ' A' ' 55' ' ' ILE . 45.7 tp -36.93 -49.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.5 -54.06 39.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.6 t -48.37 -40.84 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.485 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 59.1 t60 -69.66 -38.07 76.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.25 -37.7 81.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -77.44 -36.79 52.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -73.36 -73.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.485 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 15.6 mm-40 -57.72 -49.41 76.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -107.81 -176.91 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 t -112.38 87.62 2.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.401 ' OH ' ' NE2' ' A' ' 50' ' ' HIS . 6.4 m-85 -124.82 65.4 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 t -159.49 158.91 32.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -122.14 173.03 15.77 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 167.4 24.58 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.8 p -97.57 171.97 8.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.6 t -74.87 -47.24 31.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.52 -179.988 . . . . . . . . 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 -0.333 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -139.95 176.56 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 110.836 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -116.13 126.42 53.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.822 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.31 176.09 24.27 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -62.01 156.56 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.366 . . . . 0.0 110.892 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -125.24 153.62 42.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.29 -125.4 1.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -117.27 158.87 23.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.2 m -119.51 136.72 54.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 86.4 t60 -103.22 42.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 10' ' ' HIS . 5.6 t -36.34 138.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.94 -78.28 0.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.424 ' C ' ' HG3' ' A' ' 14' ' ' LYS . 35.3 tt0 -53.01 117.46 3.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.938 0.399 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HG3' ' C ' ' A' ' 13' ' ' GLU . 71.3 mttt -154.61 105.02 2.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 3.36 2.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 62.0 m-85 -132.11 159.17 39.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 14.4 tt0 -169.79 144.69 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 20.0 t -77.32 127.17 32.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -84.65 12.65 6.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.52 HD12 ' CG ' ' A' ' 39' ' ' HIS . 92.5 mt -109.92 -51.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.17 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.433 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 20.7 p -108.19 -12.6 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 21' ' ' CYS . 19.5 m-70 74.94 38.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.588 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -97.99 108.15 20.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.406 ' CB ' ' CD ' ' A' ' 14' ' ' LYS . 13.9 mmt180 -59.49 154.6 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 89.6 m-85 -148.1 135.75 20.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.8 t -96.81 19.48 12.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -152.23 110.78 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.542 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 88.7 p -45.39 -39.49 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.9 -52.98 40.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.459 HG22 ' CD1' ' A' ' 25' ' ' PHE . 63.3 m -50.83 -53.35 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.753 0.311 . . . . 0.0 111.119 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.452 ' HE1' ' CD1' ' A' ' 16' ' ' TYR . 24.3 ttp -53.28 -61.02 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -47.01 -44.52 20.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 21.9 mtm -68.34 -33.23 73.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -70.15 -37.97 75.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.1 mt -72.56 -30.06 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.7 -8.18 41.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 33' ' ' MET . 24.7 mm-40 -101.71 -37.54 8.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -98.62 -32.31 11.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.52 ' CG ' HD12 ' A' ' 20' ' ' ILE . 61.9 m-70 -118.77 50.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 t -71.13 -23.78 62.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -97.44 -29.98 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -79.54 43.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.7 p -168.32 138.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.48 -54.65 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -85.27 131.31 34.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 58' ' ' LYS . 83.3 m-85 -102.21 152.82 20.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -138.22 138.98 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.462 ' C ' ' H ' ' A' ' 50' ' ' HIS . 35.4 t -66.51 126.62 92.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.469 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.76 13.13 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.342 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' A' ' 48' ' ' CYS . 42.1 m-70 -126.17 -72.64 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.6 p -104.4 159.35 15.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.17 82.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -133.01 135.24 45.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -83.47 140.49 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.179 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.1 mm -128.66 121.55 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.86 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.59 173.6 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' LEU . 18.9 tptp -60.86 -60.66 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -38.27 -39.08 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 61' ' ' LEU . 6.3 t0 -68.21 -44.39 75.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' LYS . 54.1 tp -35.68 -50.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -50.33 -59.08 8.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.532 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -44.25 -41.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -69.43 -32.4 71.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.2 -35.37 71.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -84.38 -33.48 23.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -73.39 -63.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -69.63 -47.74 62.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -110.43 -178.19 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 m -113.23 107.21 15.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -142.07 167.48 22.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 73' ' ' GLY . 54.1 p -168.84 178.14 4.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 72' ' ' SER . . . -35.39 121.9 0.55 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.533 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 112.4 3.07 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.662 2.242 . . . . 0.0 112.31 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.0 t -103.38 159.77 15.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.0 p -39.56 -48.2 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.829 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.456 -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 1.451 -0.33 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 p -82.43 149.82 27.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.844 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 m -133.44 126.45 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.53 48.7 0.82 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 p -77.06 158.68 30.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.876 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -69.8 -56.71 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.29 132.34 3.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -79.53 147.37 32.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.8 p -132.66 131.63 41.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -77.65 148.83 34.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -154.55 114.59 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.89 72.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.467 ' HG2' ' N ' ' A' ' 14' ' ' LYS . 1.6 pm0 -99.24 -38.59 8.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 66.6 mttt -145.28 108.67 4.55 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 1.84 4.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 70.9 m-85 -132.27 153.5 50.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -161.91 141.12 9.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.6 t -74.64 123.33 24.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -82.4 20.02 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.56 HG23 ' CE1' ' A' ' 39' ' ' HIS . 64.2 mt -116.06 -52.46 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.1 p -113.21 -2.12 14.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 71.51 27.36 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.38 109.4 16.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.47 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 14.9 mmt180 -68.05 149.24 49.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.542 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 80.1 m-85 -139.3 137.58 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.457 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 2.9 t -78.23 -16.42 57.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -131.55 162.89 29.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 51.5 p -82.15 -42.6 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.61 -45.1 95.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.45 HG22 ' CD1' ' A' ' 25' ' ' PHE . 73.1 m -60.22 -45.07 94.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.542 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.1 ttp -60.57 -57.52 12.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -51.07 -45.21 61.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 27.8 mmm -64.02 -24.4 67.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.885 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -80.14 -40.38 27.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.5 mt -70.49 -26.44 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.48 -8.4 35.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 33' ' ' MET . 20.5 mm-40 -101.99 -40.95 6.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -98.42 -33.85 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.56 ' CE1' HG23 ' A' ' 20' ' ' ILE . 60.4 m-70 -115.96 44.86 1.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.4 t -63.26 -30.81 71.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -91.11 -49.19 6.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -46.45 -44.91 17.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 44' ' ' ALA . 3.3 p -70.23 147.03 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.407 ' N ' HG23 ' A' ' 43' ' ' VAL . . . -93.8 -53.44 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.96 138.0 37.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.422 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 2.1 m-85 -99.95 134.35 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -124.61 125.28 43.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.439 ' C ' ' H ' ' A' ' 50' ' ' HIS . 37.6 t -50.53 127.56 24.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.606 0.717 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 11.5 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.439 ' H ' ' C ' ' A' ' 48' ' ' CYS . 41.3 m-70 -124.91 -71.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.2 p -106.55 176.29 5.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -81.91 81.98 7.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.4 m -135.08 124.65 25.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.4 HG11 ' N ' ' A' ' 55' ' ' ILE . 88.5 t -85.62 140.32 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 56' ' ' ALA . 26.5 mm -127.38 143.46 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.494 ' N ' HG23 ' A' ' 55' ' ' ILE . . . -97.81 -73.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 60' ' ' ASP . 7.4 tpm_? -77.34 108.53 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 57' ' ' ARG . 17.7 tptm -33.26 -44.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -55.21 -48.52 73.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 57' ' ' ARG . 47.9 m-20 -47.67 -40.62 20.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' ASP . 67.9 tp -37.49 -43.36 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.26 -50.17 70.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.464 HG12 ' CD ' ' A' ' 67' ' ' LYS . 57.4 t -52.36 -42.74 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -68.75 -29.82 68.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.2 mt -77.5 -31.9 53.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -84.29 -33.67 23.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.464 ' CD ' HG12 ' A' ' 63' ' ' VAL . 8.6 mtpp -76.58 -71.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -61.53 -48.22 82.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.971 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -107.62 -178.74 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.7 m -121.32 101.92 7.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -128.45 98.94 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 99.7 p -168.96 140.32 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.819 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -158.99 -116.63 0.46 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 84.66 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.7 p -172.46 133.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.8 t -100.84 129.36 46.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.475 -179.995 . . . . . . . . 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 -0.346 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 p -128.87 114.62 16.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 p -162.54 174.7 12.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.35 151.87 10.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 m -147.74 155.41 41.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -96.18 -55.08 3.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.07 45.84 2.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -87.53 99.18 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.45 HG21 ' N ' ' A' ' 10' ' ' HIS . 78.6 m -143.77 139.56 29.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.45 ' N ' HG21 ' A' ' 9' ' ' THR . 13.3 t60 -164.52 139.09 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -155.09 136.27 13.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.2 164.68 12.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.437 ' C ' ' HG2' ' A' ' 14' ' ' LYS . 11.3 pt-20 -106.52 24.16 13.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.958 0.409 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HG2' ' C ' ' A' ' 13' ' ' GLU . 16.7 mmtp -146.32 117.63 4.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -2.45 10.2 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 92.8 m-85 -141.79 157.88 44.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -169.3 137.82 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.8 t -71.19 125.68 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -85.83 16.72 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.533 HD13 ' CD2' ' A' ' 39' ' ' HIS . 83.9 mt -112.32 -48.02 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' SG ' ' CB ' ' A' ' 23' ' ' ALA . 26.3 p -117.65 -2.76 11.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 72.76 25.02 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.522 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -79.57 104.22 10.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 -62.44 159.54 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.538 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 85.1 m-85 -151.73 126.93 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 m -69.48 -20.26 63.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -124.2 173.86 8.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 97.5 p -90.69 -52.71 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.8 -49.02 35.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.498 HG22 ' CD1' ' A' ' 25' ' ' PHE . 37.7 m -53.67 -48.91 69.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 111.154 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.538 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 22.5 ttp -57.5 -62.0 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -45.8 -49.81 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.473 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 9.9 mmm -58.98 -32.61 69.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -72.67 -39.39 67.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.0 mt -71.42 -28.97 33.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 1.1 pp -93.72 -8.24 41.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 33' ' ' MET . 40.3 mm-40 -102.03 -40.03 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -98.08 -33.42 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.533 ' CD2' HD13 ' A' ' 20' ' ' ILE . 62.5 m-70 -116.4 43.61 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 t -61.72 -30.63 70.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -96.0 -37.81 10.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -75.45 56.14 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -171.22 147.92 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.97 -73.57 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -89.86 151.08 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -108.06 161.12 15.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -134.06 125.73 28.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.413 ' C ' ' H ' ' A' ' 50' ' ' HIS . 44.0 t -54.63 136.76 63.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.586 0.708 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 7.42 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.414 ' CD2' HD22 ' A' ' 65' ' ' LEU . 55.1 m-70 -129.48 -73.53 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.1 p -97.06 -178.97 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.99 75.05 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.1 m -124.47 117.87 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 55' ' ' ILE . 97.2 t -66.5 133.78 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 56' ' ' ALA . 41.2 mm -125.48 75.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -32.53 -67.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.069 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -79.82 142.15 35.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -64.35 -61.49 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 t -45.78 -42.87 12.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -49.28 -41.09 36.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.7 tp -38.5 -47.09 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -55.02 -61.91 6.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.8 t -41.63 -52.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 111.134 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.525 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 57.1 t60 -57.1 -33.13 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.547 HD21 ' CE1' ' A' ' 71' ' ' TYR . 13.1 mt -75.23 -24.24 57.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -88.08 -35.03 17.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -79.19 -71.37 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.525 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 8.3 mm-40 -56.56 -47.56 79.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -108.72 170.17 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -95.27 111.94 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.547 ' CE1' HD21 ' A' ' 65' ' ' LEU . 5.0 m-85 -132.83 -38.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -86.46 178.01 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.32 -170.41 47.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.444 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -37.01 9.71 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t 55.82 42.08 29.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.2 t -137.05 130.78 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.478 -179.991 . . . . . . . . 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 1.451 -0.322 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -151.46 173.23 14.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -150.25 178.31 9.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.88 119.98 0.94 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -152.96 151.81 30.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 m -124.91 143.5 50.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.41 78.29 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -136.97 141.31 42.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.921 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.3 p -136.55 136.55 39.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -74.3 121.5 21.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.6 t -113.02 40.97 2.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.52 151.08 2.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -99.41 113.9 26.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.391 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 26' ' ' THR . 69.3 mttt -150.96 105.01 3.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.561 0.696 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.6 Cg_endo -69.78 1.21 4.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.317 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -127.95 155.8 43.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 44.3 tt0 -160.71 152.82 20.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.435 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 37.6 t -88.0 125.27 34.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -83.45 20.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.569 HG23 ' CE1' ' A' ' 39' ' ' HIS . 77.2 mt -116.17 -52.45 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.166 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.2 p -112.95 -8.01 13.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 74.48 35.57 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.452 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -93.44 110.72 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 15.3 mmt85 -64.44 157.34 26.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.519 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 84.1 m-85 -147.68 126.09 12.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.459 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 4.1 t -68.12 -19.72 64.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -125.07 160.59 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 p -80.98 -45.52 16.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.71 -51.95 51.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.501 HG22 ' CD1' ' A' ' 25' ' ' PHE . 95.4 m -51.49 -45.61 62.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.333 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.519 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 28.3 ttp -59.14 -62.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -46.13 -48.03 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 10.6 mmm -61.61 -34.71 76.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.437 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 40.5 t60 -68.89 -36.71 78.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.449 HG23 ' CD1' ' A' ' 20' ' ' ILE . 53.3 mt -73.44 -31.18 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 1.4 pp -93.0 -10.78 35.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' MET . 29.9 mm-40 -100.26 -40.81 7.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 29.4 mmtt -95.66 -33.37 12.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.569 ' CE1' HG23 ' A' ' 20' ' ' ILE . 63.3 m-70 -118.01 47.29 1.6 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.1 t -63.65 -40.58 97.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -90.82 -27.5 18.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -80.14 42.61 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 44' ' ' ALA . 6.5 p -161.9 144.83 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.419 ' N ' HG22 ' A' ' 43' ' ' VAL . . . -85.36 -70.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -87.6 141.88 28.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -104.82 144.64 31.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -122.49 113.44 19.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.2 t -42.12 135.56 2.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -17.1 37.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -101.72 -64.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.8 p -101.81 -174.26 2.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' THR . 2.3 p30 -86.89 -18.68 30.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' ASP . 92.1 m -32.45 122.26 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.139 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.1 t -84.88 136.73 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 56' ' ' ALA . 18.2 mm -119.45 138.77 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' N ' HG21 ' A' ' 55' ' ' ILE . . . -77.49 -76.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -98.17 150.58 21.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 61' ' ' LEU . 8.6 tptm -57.36 -56.59 19.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 t -38.26 -34.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 61' ' ' LEU . 14.1 t70 -70.97 -42.81 69.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 58' ' ' LYS . 47.8 tp -35.5 -38.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.19 -59.34 8.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.0 t -46.0 -39.04 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.111 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -72.94 -32.63 65.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt -72.89 -27.51 61.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -93.81 -33.38 13.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -76.07 -71.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -62.13 -49.96 73.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -99.26 167.28 10.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -89.47 97.86 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -134.87 26.64 3.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -98.59 -46.66 5.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.09 139.62 3.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 5.2 1.79 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.8 m 63.32 38.9 9.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.7 t -71.82 107.52 4.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.477 -179.993 . . . . . . . . 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 -0.31 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -101.26 166.67 10.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.845 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 t -140.77 161.01 38.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.03 127.7 3.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 m -155.9 166.35 33.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 m -138.25 134.94 35.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.86 -137.18 3.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.433 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -137.12 113.76 10.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t -121.36 128.5 52.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.8 t60 63.79 47.37 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -133.0 132.65 42.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.56 89.04 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -148.37 105.75 3.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.942 0.401 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' CD ' ' HB3' ' A' ' 24' ' ' ARG . 37.0 mttp -151.01 108.23 3.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.548 0.689 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.26 6.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 69.0 m-85 -129.31 156.41 44.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 19.7 tt0 -164.93 149.41 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.461 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 28.9 t -80.35 127.5 32.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -81.68 19.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.578 HD12 ' CD2' ' A' ' 39' ' ' HIS . 61.1 mt -122.1 -57.06 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.603 ' C ' ' CG ' ' A' ' 22' ' ' HIS . 29.0 p -106.92 12.16 29.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.603 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 1.1 p80 50.22 33.14 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.603 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -86.6 103.57 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HB3' ' CD ' ' A' ' 14' ' ' LYS . 4.7 mmm180 -58.58 156.18 11.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.603 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 85.5 m-85 -149.48 134.37 17.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -90.42 -0.74 57.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -130.27 125.25 34.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.559 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 68.5 p -58.53 -35.2 71.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.02 -44.3 55.33 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.522 HG21 ' CD1' ' A' ' 25' ' ' PHE . 54.6 m -56.0 -51.39 67.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.718 0.295 . . . . 0.0 111.119 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.4 ttp -53.44 -60.11 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -53.04 -37.16 61.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.6 mtm -76.59 -16.89 59.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.495 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 49.1 t60 -84.73 -45.55 12.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.66 -25.67 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.515 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -94.89 -7.97 38.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -99.67 -42.91 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.495 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 10.4 mmpt? -95.06 -35.36 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.578 ' CD2' HD12 ' A' ' 20' ' ' ILE . 54.2 m-70 -114.96 42.11 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 t -54.75 -38.94 67.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 12.6 pt-20 -99.86 -48.62 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.448 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 5.3 m-80 -38.4 -40.13 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.65 152.21 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.84 -59.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -94.7 128.66 41.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.473 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 17.3 m-85 -90.86 159.24 16.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 46' ' ' PHE . 29.3 m-70 -151.24 118.05 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.1 t -38.52 132.98 1.02 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 1.66 4.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -118.37 -67.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.3 p -103.37 -176.35 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.88 91.19 5.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 m -142.25 117.45 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.07 128.91 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.525 ' O ' ' C ' ' A' ' 56' ' ' ALA . 51.6 mm -118.78 76.91 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.525 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -26.84 -72.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -98.47 140.59 32.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 61' ' ' LEU . 13.7 tttp -55.78 -51.25 68.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 94.4 p -40.41 -33.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 61' ' ' LEU . 10.1 t0 -73.87 -38.29 64.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 58' ' ' LYS . 35.1 tp -37.08 -50.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.02 -60.81 8.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.414 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 97.1 t -42.38 -40.11 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -71.78 -38.44 70.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.0 mt -67.09 -33.89 76.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -88.75 -30.83 18.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 19.3 mmmt -74.9 -65.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -66.73 -48.09 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -107.59 179.25 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.0 m -106.64 95.43 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -133.94 38.37 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.7 p -120.22 -18.31 8.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -116.61 114.88 3.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 75' ' ' SER . 53.7 Cg_endo -69.77 1.49 4.4 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 74' ' ' PRO . 85.7 p 36.07 41.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.0 t -108.05 143.15 37.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.51 -179.989 . . . . . . . . 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 1.452 -0.294 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -109.65 125.19 52.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 t -171.67 114.13 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.61 103.76 0.45 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 p -50.13 121.93 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.827 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -52.11 -49.72 63.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.27 111.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -138.21 106.6 5.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 t -137.84 126.64 23.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -162.0 132.4 4.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.7 p -77.96 47.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.38 56.12 0.43 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -59.99 120.86 10.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 25' ' ' PHE . 54.5 mttp -150.64 106.18 3.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.55 0.691 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.0 Cg_endo -69.74 -1.31 8.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.638 2.226 . . . . 0.0 112.39 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 59.5 m-85 -126.38 160.63 29.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -167.51 140.43 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.5 t -69.48 128.26 35.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -85.32 18.83 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.515 HD11 ' CG ' ' A' ' 39' ' ' HIS . 72.9 mt -115.71 -54.36 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -109.14 -3.34 17.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 68.63 35.2 3.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.587 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -92.26 107.43 19.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 mmm-85 -58.41 157.33 8.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 80.2 m-85 -149.94 118.57 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 t -60.51 -18.3 51.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -129.58 157.86 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 79.7 p -80.68 -44.41 18.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.11 -46.24 79.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.501 HG21 ' CD1' ' A' ' 25' ' ' PHE . 77.7 m -58.87 -46.11 88.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.179 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.519 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 34.2 ttp -61.48 -56.49 19.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -47.63 -48.41 28.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.438 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 8.8 mtm -64.64 -31.48 72.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.423 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 42.1 t60 -68.89 -38.97 80.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.5 mt -71.27 -29.5 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.438 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 0.8 OUTLIER -93.86 -9.0 38.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 33' ' ' MET . 10.0 mm100 -101.74 -39.84 7.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 31.4 mmtt -97.72 -32.64 11.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.515 ' CG ' HD11 ' A' ' 20' ' ' ILE . 62.0 m-70 -117.91 50.48 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.9 t -71.86 -33.58 68.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -86.24 -31.2 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -78.22 47.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.7 p -173.47 146.12 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.13 -57.63 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -80.66 135.1 35.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.578 ' CE1' ' HA ' ' A' ' 57' ' ' ARG . 60.8 m-85 -108.5 148.14 30.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -134.51 136.31 43.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.7 t -64.71 129.33 94.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 4.47 2.2 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -117.38 -72.59 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.4 p -99.01 171.04 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.99 77.92 8.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.2 m -129.65 150.63 50.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -95.53 139.84 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.418 ' CG2' ' HB3' ' A' ' 60' ' ' ASP . 26.9 mm -125.06 130.88 73.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.53 -74.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.578 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -134.7 179.97 5.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -49.64 -68.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.419 ' N ' ' HD3' ' A' ' 57' ' ' ARG . 1.4 t -40.98 -42.87 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.418 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 3.0 t70 -60.94 -43.37 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 60' ' ' ASP . 54.2 tp -36.91 -54.37 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -47.08 -63.42 3.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 93.9 t -37.14 -47.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.92 0.39 . . . . 0.0 111.147 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -63.52 -38.81 92.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 62' ' ' GLY . 24.0 mt -67.12 -42.6 84.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -76.03 -31.07 58.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -73.37 -76.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.06 -50.44 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -102.77 179.98 4.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 76.4 p -123.63 96.55 5.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -122.44 122.17 38.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.5 m -63.07 133.4 54.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -146.89 154.68 26.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -3.72 12.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.3 p -93.73 45.75 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.7 t -118.85 40.89 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.441 179.988 . . . . . . . . 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 -0.352 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -143.7 132.88 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 t -167.57 139.71 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.05 154.44 20.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.427 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -144.04 145.88 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -164.78 173.99 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.74 79.34 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -84.2 123.41 30.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.6 p -114.95 119.83 37.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -102.18 96.55 7.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.2 m -80.23 165.86 21.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.88 -136.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -156.57 116.75 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.9 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HB3' ' C ' ' A' ' 25' ' ' PHE . 41.2 mttp -151.21 105.1 2.96 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.539 0.685 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 0.92 4.96 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.548 ' CE1' ' OG ' ' A' ' 28' ' ' SER . 65.5 m-85 -129.58 158.11 40.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -169.06 145.37 3.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.9 t -71.09 131.46 43.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -88.14 15.45 7.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.572 HD11 ' CD2' ' A' ' 39' ' ' HIS . 89.6 mt -112.74 -53.8 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.138 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.416 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 31.2 p -107.94 -7.88 16.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.416 ' CD2' ' C ' ' A' ' 21' ' ' CYS . 19.9 m-70 74.68 29.02 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.595 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -84.66 108.26 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -60.04 159.94 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 86.8 m-85 -153.41 122.86 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 t -65.27 -15.71 62.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -131.61 149.33 52.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.548 ' OG ' ' CE1' ' A' ' 16' ' ' TYR . 1.3 t -72.44 -37.14 68.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.17 -50.87 59.48 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.45 HG21 ' CD1' ' A' ' 25' ' ' PHE . 98.1 m -53.44 -41.87 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 111.15 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.492 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 15.3 ttp -67.04 -53.17 33.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -48.4 -45.11 35.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.419 ' SD ' ' CB ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -66.55 -39.8 88.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -59.86 -38.11 81.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.415 HG23 ' CD1' ' A' ' 20' ' ' ILE . 40.6 mt -70.5 -32.36 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.59 -8.01 45.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -99.44 -42.67 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -96.68 -35.31 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.572 ' CD2' HD11 ' A' ' 20' ' ' ILE . 59.5 m-70 -113.76 50.34 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 t -70.52 -30.81 67.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -102.9 -28.02 12.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -76.2 47.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -167.08 148.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.14 -60.39 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HZ3' ' CE1' ' A' ' 47' ' ' HIS . 2.9 ptmm? -89.08 133.0 34.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 57' ' ' ARG . 30.6 m-85 -101.06 107.75 19.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.493 ' CE1' ' HZ3' ' A' ' 45' ' ' LYS . 2.8 m170 -88.68 131.82 34.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.7 t -61.68 137.54 95.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.419 ' CB ' ' SD ' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.71 -32.22 19.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.543 ' NE2' ' CD2' ' A' ' 65' ' ' LEU . 7.8 m-70 -79.44 -67.1 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.74 172.33 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.33 79.79 5.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.6 m -130.98 131.88 44.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.415 HG11 ' N ' ' A' ' 55' ' ' ILE . 62.6 t -78.39 136.01 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 46' ' ' PHE . 14.2 mm -126.57 125.27 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -37.65 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.561 ' HA ' ' CD1' ' A' ' 46' ' ' PHE . 5.2 ptp85 -133.74 179.63 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 61' ' ' LEU . 23.2 tptp -53.88 -62.01 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.9 p -42.4 -35.42 1.02 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.98 -38.12 66.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.47 ' N ' HG23 ' A' ' 55' ' ' ILE . 53.9 tp -45.7 -61.34 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -37.68 -63.56 0.84 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.44 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.1 t -39.86 -45.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 111.103 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -66.6 -33.35 75.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.803 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.543 ' CD2' ' NE2' ' A' ' 50' ' ' HIS . 19.1 mt -70.3 -41.88 72.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -76.59 -32.3 58.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -75.85 -75.17 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -57.79 -49.25 77.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.972 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -105.94 178.24 4.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 90.0 p -115.95 100.56 8.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -134.87 88.33 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 m -172.27 177.35 3.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.98 -116.73 0.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -175.9 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.359 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.8 m -103.52 151.85 22.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.6 t -120.36 149.08 42.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.493 -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 1.451 -0.329 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -139.98 137.95 35.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -158.8 127.63 5.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.77 50.77 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -165.21 141.65 5.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' GLY . 37.3 t -174.86 159.66 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.93 144.13 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.1 ttm-85 -153.97 134.79 13.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.3 p -50.08 151.21 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -87.64 105.94 17.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.4 m -122.79 172.98 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.94 176.56 26.02 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.431 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 1.6 pm0 -101.93 88.1 3.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.889 0.376 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HD2' ' C ' ' A' ' 13' ' ' GLU . 4.5 mptt -150.43 105.83 3.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.593 0.711 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.65 3.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.362 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -134.15 156.9 47.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -160.8 147.86 15.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.1 t -79.37 125.56 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -82.73 18.87 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.563 HD13 ' CD2' ' A' ' 39' ' ' HIS . 75.0 mt -116.53 -51.58 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -114.57 3.75 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.2 m170 63.88 30.39 14.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.56 114.89 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.052 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -73.17 143.07 47.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.557 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 90.1 m-85 -137.03 130.77 31.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.8 t -71.54 -21.55 61.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -126.37 155.17 42.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.2 p -77.98 -32.73 51.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.14 -51.17 55.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.451 HG23 ' CD1' ' A' ' 25' ' ' PHE . 88.3 m -56.51 -45.69 80.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.15 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.557 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 59.9 ttp -59.95 -57.67 11.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -47.66 -48.08 29.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.476 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -63.73 -27.22 69.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.541 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 42.7 t60 -75.96 -37.95 58.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.3 mt -71.71 -27.76 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 0.8 OUTLIER -94.97 -10.59 30.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 33' ' ' MET . 19.3 mm-40 -101.64 -37.03 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.541 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 29.7 mmtt -99.05 -30.97 12.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.563 ' CD2' HD13 ' A' ' 20' ' ' ILE . 62.0 m-70 -121.06 48.29 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.0 t -65.51 -41.04 93.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -94.33 -23.22 17.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -82.5 43.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 p -159.52 152.85 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.25 -67.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -88.79 145.21 25.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.566 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 11.1 m-85 -110.12 101.84 10.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' CYS . 16.0 m-70 -83.57 108.56 16.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.436 ' C ' ' H ' ' A' ' 50' ' ' HIS . 30.1 t -37.81 137.48 0.7 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.418 ' CB ' ' SD ' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.78 10.58 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.436 ' H ' ' C ' ' A' ' 48' ' ' CYS . 54.0 m-70 -132.06 -67.45 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.9 p -105.64 179.83 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -91.74 80.16 5.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.7 m -135.04 118.59 16.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 55' ' ' ILE . 84.5 t -71.88 136.13 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.479 ' O ' ' C ' ' A' ' 56' ' ' ALA . 37.7 mm -124.01 82.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -29.65 -71.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -100.51 149.6 23.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HG2' ' CE2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -68.43 -46.74 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 p -40.76 -30.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' LEU . 1.6 t70 -83.67 -37.48 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' LYS . 47.9 tp -38.05 -53.72 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -49.95 -58.21 8.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.523 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.5 t -44.9 -43.27 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 111.164 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -69.07 -38.77 79.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.74 -21.91 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -93.78 -42.97 8.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -73.56 -72.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -57.41 -48.65 78.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -104.86 171.0 7.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.6 t -102.94 97.4 7.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -133.32 82.84 2.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.962 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.4 t -67.91 146.87 53.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 165.99 98.0 0.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.532 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 102.49 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.712 2.274 . . . . 0.0 112.356 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.3 m -53.5 133.37 40.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.7 m -90.63 120.97 32.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.482 -179.97 . . . . . . . . 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 -0.308 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -146.47 116.68 7.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.373 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 p -139.79 178.37 7.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.95 173.47 43.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -145.21 136.18 24.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -139.57 163.03 33.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.27 -151.47 9.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -87.44 -61.11 1.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.8 m -156.65 130.49 8.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -60.14 89.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 m -169.7 134.79 1.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.96 132.54 9.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.453 ' OE2' ' NH1' ' A' ' 24' ' ' ARG . 9.9 pt-20 -90.68 -45.11 9.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 26' ' ' THR . 49.1 mttt -147.85 105.02 3.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 4.25 2.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 68.7 m-85 -133.85 166.1 23.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -175.05 139.76 0.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.8 t -69.82 124.19 23.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -81.76 18.63 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.56 HG22 ' CE1' ' A' ' 39' ' ' HIS . 58.7 mt -116.48 -52.85 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -111.99 2.58 16.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 65.91 26.98 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.551 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -79.97 102.73 9.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' NH1' ' OE2' ' A' ' 13' ' ' GLU . 5.5 mmt85 -61.75 152.96 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 81.5 m-85 -146.08 131.56 18.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.466 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 6.2 t -74.18 -16.55 60.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -133.87 150.95 51.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 95.6 p -72.02 -50.51 27.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.75 -39.3 16.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.519 HG23 ' CD1' ' A' ' 25' ' ' PHE . 60.9 m -69.76 -47.29 63.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 111.137 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.452 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 28.9 ttp -59.21 -52.36 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -57.65 -38.9 75.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.419 ' O ' ' CD ' ' A' ' 37' ' ' GLN . 9.6 mtm -72.7 -15.92 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.541 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 46.7 t60 -85.95 -43.31 13.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.71 -26.42 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.519 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -93.73 -8.19 41.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' CD ' ' O ' ' A' ' 33' ' ' MET . 53.5 mt-30 -100.18 -42.39 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.541 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 10.7 mmpt? -94.84 -34.7 12.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.56 ' CE1' HG22 ' A' ' 20' ' ' ILE . 43.9 m-70 -115.79 45.44 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 t -61.23 -39.26 89.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -100.29 -28.38 13.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -77.67 50.44 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.7 p -165.63 149.64 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.93 -58.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -88.04 129.45 35.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -100.69 150.2 23.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -133.39 138.04 46.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.431 ' C ' ' H ' ' A' ' 50' ' ' HIS . 38.9 t -65.74 129.85 94.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.4 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.77 10.43 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.433 ' NE2' ' CD2' ' A' ' 65' ' ' LEU . 20.6 m-70 -124.45 -71.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.6 p -105.39 164.2 12.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -75.7 78.7 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.3 m -128.06 137.05 52.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 55' ' ' ILE . 95.0 t -89.56 140.67 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.411 ' N ' HG11 ' A' ' 54' ' ' VAL . 25.6 mm -128.94 133.09 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.9 -72.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 ptt-85 -122.13 -178.74 3.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' LEU . 12.0 tptm -62.13 -63.32 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.1 m -38.95 -42.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.02 -44.09 97.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' LYS . 63.2 tp -39.87 -45.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -54.17 -63.31 5.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.8 t -37.82 -44.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 111.092 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -68.33 -37.79 80.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' GLY . 14.8 mt -63.06 -40.49 97.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -81.62 -35.95 29.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -67.98 -61.93 1.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -72.22 -50.32 28.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -107.85 177.74 4.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.0 m -106.48 95.53 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -124.56 76.54 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.6 t -169.47 170.48 8.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.98 142.1 21.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -29.61 23.33 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.637 2.225 . . . . 0.0 112.377 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.0 p -74.46 167.52 21.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.4 t -58.19 109.5 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.51 -179.943 . . . . . . . . 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 -0.308 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m -126.62 165.06 19.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -163.64 173.34 13.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.34 144.86 4.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -119.84 110.02 16.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.815 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.1 p -110.91 124.75 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.92 144.35 16.12 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -144.83 153.9 42.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.9 p -37.6 140.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 22.3 t-160 -83.64 36.84 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.2 t -126.88 80.07 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.486 ' C ' ' CD ' ' A' ' 13' ' ' GLU . . . 116.86 -45.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.486 ' CD ' ' C ' ' A' ' 12' ' ' GLY . 4.9 pm0 39.94 28.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.958 0.409 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 26' ' ' THR . 33.0 mttt -144.35 108.65 4.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.699 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -1.65 8.79 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.485 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 63.6 m-85 -127.68 159.34 35.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.94 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -169.22 143.83 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 t -75.9 122.66 24.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -81.21 19.09 0.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.585 HG21 ' CE1' ' A' ' 39' ' ' HIS . 77.8 mt -117.71 -51.9 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.1 p -111.28 2.25 17.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 63.67 33.49 13.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.514 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -89.05 106.99 18.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.463 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 12.7 mmt85 -65.51 150.58 48.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 96.5 m-85 -145.75 139.75 26.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.472 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 9.0 t -99.88 17.21 21.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.127 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -147.4 111.22 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.485 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 78.9 p -45.29 -39.29 6.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.67 -44.55 81.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.482 HG21 ' CD1' ' A' ' 25' ' ' PHE . 50.8 m -58.22 -54.58 45.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.34 . . . . 0.0 111.127 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 26.2 ttp -50.37 -56.79 9.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -54.29 -45.84 72.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.6 mtm -64.6 -23.57 67.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.509 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 50.8 t60 -78.49 -45.78 21.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.97 -25.09 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.68 -7.28 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.414 ' C ' ' HE2' ' A' ' 38' ' ' LYS . 19.5 mm-40 -100.8 -43.07 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.509 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 10.7 mmpt? -94.37 -34.3 12.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.585 ' CE1' HG21 ' A' ' 20' ' ' ILE . 35.6 m-70 -116.48 42.48 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.7 t -56.25 -38.74 71.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -99.35 -30.51 12.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -77.15 57.34 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 p -170.1 147.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.26 -68.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -83.03 135.75 34.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -101.29 101.86 12.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -84.63 126.09 33.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.5 t -55.35 134.38 69.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.66 0.743 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 7.31 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -126.36 -72.38 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.9 p -97.23 169.25 9.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.5 69.49 10.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.8 m -122.26 139.33 53.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.475 HG11 ' N ' ' A' ' 55' ' ' ILE . 96.8 t -89.4 138.42 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.475 ' N ' HG11 ' A' ' 54' ' ' VAL . 21.5 mm -126.5 129.81 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.94 -76.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.25 175.01 7.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' LEU . 26.8 tptp -54.06 -66.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' LYS . 14.9 p -36.87 -41.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.77 -43.3 96.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 58' ' ' LYS . 58.8 tp -40.12 -53.36 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -45.49 -58.73 5.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 96.1 t -41.96 -44.34 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 111.116 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.413 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 55.9 t60 -67.94 -33.39 74.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' GLY . 26.9 mt -73.95 -26.61 60.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -88.38 -39.95 13.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -75.55 -74.18 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.413 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 4.2 mm100 -56.5 -47.13 79.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -106.39 173.34 6.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.4 t -113.13 103.59 11.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -134.94 39.49 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -155.05 154.73 32.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 173.89 85.71 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.44 5.29 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.299 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 t -75.46 118.28 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 64.8 m -119.93 157.36 28.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.813 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.484 179.974 . . . . . . . . 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 -0.293 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.9 m -46.8 -60.41 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 110.863 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t 69.91 42.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.5 105.58 0.21 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -87.34 122.48 31.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 t -107.59 125.57 51.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.99 74.11 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -117.13 -47.18 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.4 t -75.72 118.93 19.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -122.87 94.05 4.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -150.07 141.87 23.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.69 139.25 6.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -111.03 125.75 54.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 25' ' ' PHE . 38.5 mttp -152.42 105.77 2.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.726 2.284 . . . . 0.0 112.29 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 71.9 m-85 -132.44 156.09 47.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -165.72 139.51 4.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -71.73 123.55 22.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -81.84 16.34 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.557 ' CG2' ' CE1' ' A' ' 39' ' ' HIS . 86.8 mt -111.94 -49.29 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.9 p -117.14 1.56 12.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 66.55 30.79 8.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.594 ' O ' ' CE2' ' A' ' 25' ' ' PHE . . . -83.85 105.07 14.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 6.8 mmt85 -62.55 154.07 29.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 23' ' ' ALA . 95.9 m-85 -151.17 128.5 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 t -71.78 -17.37 62.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -126.92 158.04 37.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 94.1 p -82.06 -48.67 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -51.8 -43.19 54.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -64.23 -44.49 91.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.347 . . . . 0.0 111.166 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.468 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 40.0 ttp -66.07 -55.56 15.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -47.25 -45.84 23.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 8.4 mtm -65.11 -40.13 94.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.451 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 27.6 t60 -60.76 -36.36 78.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.3 mt -70.86 -34.66 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 1.4 pp -90.56 -11.69 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -96.81 -37.15 10.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 30.9 mmtt -99.77 -35.57 9.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.557 ' CE1' ' CG2' ' A' ' 20' ' ' ILE . 59.4 m-70 -115.42 46.01 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 t -59.5 -39.46 83.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -93.93 -31.33 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -77.87 54.33 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.9 p -170.62 146.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.17 -68.06 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -80.96 133.66 35.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.552 ' CE1' ' HA ' ' A' ' 57' ' ' ARG . 57.1 m-85 -100.45 101.73 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -83.65 129.98 34.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.4 t -57.52 135.07 82.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -21.43 33.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.391 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.621 ' CD2' ' CD2' ' A' ' 65' ' ' LEU . 16.9 m-70 -92.49 -67.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 p -105.0 178.97 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.29 81.18 3.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.7 m -133.26 141.42 48.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.0 t -84.22 137.02 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.418 HG23 ' CA ' ' A' ' 61' ' ' LEU . 17.2 mm -128.0 128.68 69.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.53 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.552 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 13.2 ptm180 -135.7 -176.77 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 61' ' ' LEU . 13.4 tptm -54.52 -68.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' LYS . 7.7 m -38.08 -44.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -41.06 98.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 58' ' ' LYS . 20.6 tp -45.13 -61.85 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' LEU . . . -36.43 -59.25 1.03 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.7 t -41.78 -45.13 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -71.73 -41.03 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.621 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 35.2 mt -65.75 -23.7 66.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -93.74 -42.02 9.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 2.6 mptt -70.66 -71.83 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -59.89 -48.29 82.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -103.59 -175.57 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.9 m -104.59 103.97 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.474 ' OH ' ' CE1' ' A' ' 50' ' ' HIS . 4.7 m-85 -132.35 42.74 3.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.5 t -130.69 -50.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.52 -127.6 1.77 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -44.24 2.17 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 t -143.72 127.89 17.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.3 t -42.71 140.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.468 -179.937 . . . . . . . . 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 1.452 -0.291 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t 57.5 40.85 26.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -71.58 154.08 41.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.97 46.14 2.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.1 p -106.79 134.51 49.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.9 m -54.35 -61.83 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.806 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.63 65.45 3.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -130.4 40.05 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.2 p -124.53 141.83 51.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -167.49 119.27 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.9 m -122.57 132.93 54.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.4 ' HA3' ' NH2' ' A' ' 24' ' ' ARG . . . 101.48 81.95 1.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.49 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.432 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 7.5 pt-20 -117.87 71.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HD2' ' C ' ' A' ' 13' ' ' GLU . 6.3 mptt -152.81 112.65 2.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.637 0.732 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.97 3.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.716 2.278 . . . . 0.0 112.364 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 81.1 m-85 -135.32 154.28 51.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -162.93 141.3 8.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 t -73.09 123.65 24.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -83.23 16.46 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.622 ' CG2' ' CE1' ' A' ' 39' ' ' HIS . 90.4 mt -112.97 -51.42 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.468 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 13.1 p -110.1 -10.78 14.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.468 ' CD2' ' C ' ' A' ' 21' ' ' CYS . 16.1 m-70 74.86 37.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.605 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -97.32 107.11 19.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' NH2' ' HA3' ' A' ' 12' ' ' GLY . 16.3 mmm-85 -58.94 156.17 12.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 87.2 m-85 -150.25 130.23 13.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -86.7 3.39 45.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -136.0 122.73 21.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.573 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 89.8 p -56.28 -37.58 70.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.98 -51.9 36.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.512 HG21 ' CD1' ' A' ' 25' ' ' PHE . 75.8 m -50.43 -51.54 45.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.4 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.7 ttp -52.4 -61.09 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -51.24 -38.57 53.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.488 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 21.8 mtm -71.5 -21.61 61.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.44 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 35.9 t60 -82.25 -39.78 22.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.5 mt -67.5 -30.32 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.52 -7.31 55.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 33' ' ' MET . 54.3 mt-30 -102.15 -41.96 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 29.8 mmtt -97.66 -30.68 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.622 ' CE1' ' CG2' ' A' ' 20' ' ' ILE . 61.1 m-70 -119.97 46.03 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.401 ' CB ' ' HZ1' ' A' ' 58' ' ' LYS . 3.4 t -64.21 -34.11 77.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 19.2 pt-20 -89.44 -49.6 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.405 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 6.0 t-20 -42.2 -45.75 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.413 HG22 ' N ' ' A' ' 44' ' ' ALA . 3.1 p -73.77 144.26 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.413 ' N ' HG22 ' A' ' 43' ' ' VAL . . . -87.23 -63.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' HE3' ' CG1' ' A' ' 54' ' ' VAL . 15.5 tttp -93.01 141.62 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.575 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 10.6 m-85 -102.39 146.71 27.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.555 ' CE1' HG21 ' A' ' 54' ' ' VAL . 31.6 m-70 -137.64 134.89 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.437 ' C ' ' H ' ' A' ' 50' ' ' HIS . 44.3 t -58.43 125.68 76.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 9.82 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.377 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' A' ' 48' ' ' CYS . 40.7 m-70 -123.48 -71.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.3 p -107.51 177.92 4.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -83.03 85.65 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.4 m -136.09 112.12 9.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.555 HG21 ' CE1' ' A' ' 47' ' ' HIS . 96.6 t -74.14 133.66 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.4 mm -122.28 136.21 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.68 -70.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.47 158.03 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.575 ' HG2' ' CE2' ' A' ' 46' ' ' PHE . 0.7 OUTLIER -65.31 -50.49 65.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -40.93 -31.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.01 -38.12 16.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 58' ' ' LYS . 58.8 tp -38.48 -51.67 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -49.6 -57.84 9.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.3 t -40.94 -42.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 111.144 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.457 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 54.3 t60 -69.48 -38.71 77.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.429 ' HB3' ' CD1' ' A' ' 71' ' ' TYR . 20.8 mt -70.33 -28.43 65.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.3 mtm-85 -85.59 -42.89 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -74.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.457 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 38.3 mm-40 -56.35 -49.09 75.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -106.86 -176.92 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.5 m -104.25 106.41 16.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.429 ' CD1' ' HB3' ' A' ' 65' ' ' LEU . 12.4 m-85 -144.09 150.02 37.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.5 p -101.05 149.21 24.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -130.01 -166.06 11.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 113.39 3.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.356 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.4 p -78.42 -49.21 13.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.5 m 58.59 42.49 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.483 179.969 . . . . . . . . 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 ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 mttt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 2.86 3.19 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.633 2.222 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 61.1 m-85 -130.91 155.84 46.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -163.27 145.08 9.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.3 t -79.6 124.57 28.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -83.11 16.91 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.738 HG21 ' CD2' ' A' ' 39' ' ' HIS . 78.7 mt -113.93 -47.87 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 30.8 p -116.54 -6.62 11.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.8 m80 73.65 27.12 1.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.584 ' O ' ' CE2' ' A' ' 25' ' ' PHE . . . -83.05 108.41 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -63.23 156.13 26.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 23' ' ' ALA . 97.2 m-85 -151.65 135.21 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -90.53 0.84 57.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -131.72 129.06 40.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 93.9 p -61.67 -34.54 75.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.58 -48.34 29.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.53 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.3 m -53.74 -48.59 69.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.147 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.423 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.4 ttp -56.15 -61.85 2.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -47.4 -42.87 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.488 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 15.4 mtm -69.28 -28.08 65.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.418 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 33.7 t60 -73.0 -41.69 64.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.737 HG23 HD12 ' A' ' 20' ' ' ILE . 55.3 mt -65.83 -30.02 48.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.56 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -92.29 -9.68 41.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -97.06 -41.19 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 35.5 mmtt -97.58 -32.32 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.738 ' CD2' HG21 ' A' ' 20' ' ' ILE . 16.7 m80 -118.89 57.8 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.4 t -77.61 -30.98 52.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -97.3 -25.08 15.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -85.21 44.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 45' ' ' LYS . 3.4 p -160.98 133.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.41 -61.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.51 ' NZ ' HG11 ' A' ' 54' ' ' VAL . 26.8 mmtt -85.01 145.4 27.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' ' HA ' ' A' ' 57' ' ' ARG . 55.8 m-85 -112.63 134.46 54.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -116.39 142.3 47.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.3 t -68.47 126.94 93.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.426 ' NE2' HD21 ' A' ' 65' ' ' LEU . 28.0 m-70 -116.3 -71.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 p -103.41 174.55 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -89.22 91.29 8.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.6 m -145.86 142.54 28.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.51 HG11 ' NZ ' ' A' ' 45' ' ' LYS . 74.2 t -84.0 142.72 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.8 mm -130.41 122.61 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -41.0 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.586 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 1.3 ptm180 -131.57 172.0 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 6.3 ttmt -52.44 -61.29 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.3 p -41.72 -38.42 1.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.45 -41.11 85.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.0 tp -39.79 -57.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -41.23 -53.31 4.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.8 t -49.09 -46.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -66.51 -39.09 88.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 71' ' ' TYR . 16.7 mt -65.9 -25.57 67.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -91.45 -41.27 10.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -71.69 -74.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -59.46 -49.84 76.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -103.22 -177.04 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.3 t -117.8 92.68 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.471 ' CD1' HD22 ' A' ' 65' ' ' LEU . 11.3 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.1 Cg_endo -69.74 3.18 2.91 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.371 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 76.4 m-85 -134.56 157.24 47.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -162.73 139.82 7.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.7 t -73.49 124.48 25.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -82.47 19.33 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.705 HD12 HG23 ' A' ' 35' ' ' ILE . 74.4 mt -116.53 -51.48 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 27.1 p -114.03 3.05 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 62.72 32.97 15.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.523 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -87.52 112.58 22.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -66.9 149.57 50.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 86.5 m-85 -144.36 140.24 28.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.9 t -98.47 16.79 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -150.21 118.48 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 85.2 p -50.34 -38.46 42.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.22 -50.7 43.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.2 m -51.7 -51.81 53.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.821 0.343 . . . . 0.0 111.139 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.8 ttp -54.23 -62.32 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -45.78 -46.29 15.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.485 ' HA ' HD23 ' A' ' 36' ' ' LEU . 10.2 mtm -65.03 -39.26 93.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -62.09 -38.92 90.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.705 HG23 HD12 ' A' ' 20' ' ' ILE . 45.3 mt -69.42 -30.84 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.656 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -92.05 -8.4 46.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -99.42 -41.98 7.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -98.11 -30.7 12.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.776 ' O ' HG12 ' A' ' 43' ' ' VAL . 19.2 m80 -119.36 48.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 t -66.09 -31.3 72.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 12.1 pt-20 -92.2 -50.19 5.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.401 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 4.7 t-20 -46.7 -44.13 18.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.776 HG12 ' O ' ' A' ' 39' ' ' HIS . 7.4 p -69.3 147.85 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.99 -64.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -94.55 132.2 39.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -91.51 103.74 16.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -90.19 115.18 27.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.5 t -41.93 134.6 2.32 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 0.64 5.34 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.617 ' CD2' ' CD2' ' A' ' 65' ' ' LEU . 35.6 m-70 -118.34 -70.25 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.3 p -101.2 -178.57 3.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -97.36 75.07 2.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 m -125.6 121.78 34.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.1 t -72.58 125.66 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.1 mm -118.2 137.92 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.17 -75.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.051 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.42 117.53 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -47.87 -51.32 23.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.1 t -56.14 -48.05 77.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 61' ' ' LEU . 4.9 m-20 -48.35 -41.66 29.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' ASP . 68.0 tp -37.19 -44.66 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.11 -51.51 57.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.512 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.6 t -48.38 -40.95 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 58.6 t60 -69.53 -32.01 70.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.617 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 18.0 mt -73.33 -33.96 65.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -87.33 -27.63 22.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -79.4 -66.86 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.537 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 18.3 mm-40 -65.17 -46.82 79.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -107.62 167.57 9.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.6 t -89.31 98.81 11.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.854 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 86.2 mttt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.549 0.69 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.1 Cg_endo -69.73 -0.23 6.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.311 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 64.2 m-85 -127.6 151.9 48.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -161.02 147.83 15.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 t -80.09 125.19 29.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -83.05 18.67 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.667 HG21 ' CD2' ' A' ' 39' ' ' HIS . 76.0 mt -116.12 -50.65 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 28.0 p -115.0 0.73 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.7 m80 67.82 26.42 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -79.49 112.68 16.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -69.6 153.77 42.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.492 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 97.3 m-85 -149.07 130.96 15.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.474 HG23 ' HG3' ' A' ' 27' ' ' GLN . 2.0 t -74.85 -13.92 60.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.474 ' HG3' HG23 ' A' ' 26' ' ' THR . 91.1 mt-30 -132.48 160.37 36.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 79.5 p -83.4 -33.35 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.6 -44.72 94.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.5 m -65.37 -36.64 84.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.492 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 32.4 ttp -71.43 -54.28 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -50.83 -46.24 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.456 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 9.1 mtt -65.03 -33.04 75.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -69.19 -36.46 77.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.508 HG23 HD12 ' A' ' 20' ' ' ILE . 53.7 mt -73.97 -30.4 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -93.8 -7.89 42.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 33' ' ' MET . 13.3 mm-40 -101.75 -41.63 6.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -96.07 -33.87 11.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.667 ' CD2' HG21 ' A' ' 20' ' ' ILE . 20.2 m80 -116.37 45.21 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.3 t -63.04 -34.77 78.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -91.36 -34.95 14.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -79.78 44.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 39' ' ' HIS . 7.3 p -160.7 143.66 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.82 -54.13 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -83.83 109.98 17.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' ' HG2' ' A' ' 58' ' ' LYS . 75.7 m-85 -86.96 108.09 18.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -89.75 129.31 36.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.0 t -58.27 128.72 82.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 3.73 2.59 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.643 2.229 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -118.58 -71.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.7 p -103.22 -177.48 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -96.0 73.36 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.6 m -123.13 135.08 54.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.9 132.05 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.531 HG21 ' HA ' ' A' ' 61' ' ' LEU . 49.1 mm -122.13 123.04 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.24 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.412 ' HA ' ' CE2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -129.54 177.52 7.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.586 ' HG2' ' CE1' ' A' ' 46' ' ' PHE . 9.0 mmtp -59.41 -59.41 5.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.5 t -42.94 -28.33 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.64 -33.03 18.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.531 ' HA ' HG21 ' A' ' 55' ' ' ILE . 43.7 tp -43.14 -49.05 6.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -51.84 -60.88 6.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.447 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.423 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 93.8 t -38.04 -41.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -71.29 -38.09 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 62' ' ' GLY . 39.6 mt -67.62 -39.47 84.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -80.87 -32.46 34.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 16.7 mmtp -73.56 -68.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -66.1 -50.18 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -104.52 178.52 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.8 t -114.5 105.73 13.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.825 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 30.7 mttp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.575 0.702 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.8 Cg_endo -69.79 0.94 4.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.298 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 54.8 m-85 -128.16 154.77 45.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -161.21 140.08 10.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.0 t -74.29 124.97 27.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -82.8 18.8 1.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.524 HG21 ' CD2' ' A' ' 39' ' ' HIS . 75.3 mt -116.99 -51.92 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 31.7 p -112.03 -0.17 15.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.4 m80 66.17 29.86 9.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.469 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -85.41 115.22 23.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.074 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.483 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 12.3 mmt85 -70.06 150.63 46.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -145.56 134.62 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.831 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.455 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 15.2 t -95.07 24.46 4.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -157.51 119.34 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 94.8 p -50.44 -41.12 52.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.68 -51.97 47.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.0 m -50.21 -51.58 42.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.167 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 18.9 ttp -52.96 -63.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -46.41 -46.24 18.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.501 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 12.6 mmm -64.89 -28.14 69.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -76.52 -35.88 58.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.434 HG23 HD12 ' A' ' 20' ' ' ILE . 64.8 mt -73.9 -29.54 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.891 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -93.67 -7.86 42.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 33' ' ' MET . 27.3 mm-40 -101.44 -41.86 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -95.92 -32.27 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.547 ' O ' HG12 ' A' ' 43' ' ' VAL . 21.3 m80 -117.3 44.25 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 t -62.48 -35.07 78.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -94.99 -26.58 16.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -82.62 44.72 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 39' ' ' HIS . 4.9 p -164.33 138.28 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.25 -70.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 43' ' ' VAL . 34.1 mmtm -85.55 160.73 19.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -119.72 161.36 20.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -136.58 129.88 31.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.4 t -58.96 129.52 85.83 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 6.59 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.338 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 43.2 m-70 -122.98 -71.74 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.1 p -103.94 -179.56 3.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.27 84.29 5.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.5 m -136.2 110.07 8.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.1 129.56 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.8 mm -119.59 143.83 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.54 -73.21 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -73.22 123.38 23.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -55.41 -55.13 35.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.5 m -46.11 -36.53 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' LEU . 72.6 m-20 -68.67 -40.13 80.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 60' ' ' ASP . 66.8 tp -37.45 -47.76 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.14 -50.76 57.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.526 HG12 ' HG3' ' A' ' 67' ' ' LYS . 97.0 t -52.05 -39.44 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 51.1 t60 -71.76 -31.58 66.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 mt -71.76 -33.18 68.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -90.05 -35.92 15.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.526 ' HG3' HG12 ' A' ' 63' ' ' VAL . 6.3 mmpt? -68.42 -53.03 26.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.564 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 37.1 mm-40 -81.02 -50.28 9.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.477 ' CE1' ' HB2' ' A' ' 50' ' ' HIS . 19.5 m80 -106.05 167.5 9.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.9 m -87.95 115.75 25.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.877 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 47.9 mttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.0 Cg_endo -69.74 3.94 2.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 60.1 m-85 -132.15 155.91 47.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -162.64 145.3 10.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.6 t -79.38 124.22 28.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -81.49 16.7 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.657 HD12 HG23 ' A' ' 35' ' ' ILE . 76.3 mt -114.8 -52.82 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 p -109.94 -8.03 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 72.5 30.23 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.588 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -86.91 108.89 18.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -61.57 153.58 27.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 92.5 m-85 -148.2 136.59 21.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 t -94.06 8.11 42.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -140.73 121.94 14.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 90.2 p -56.35 -34.17 66.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.0 -51.19 29.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.7 m -53.34 -49.92 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 111.177 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.442 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 17.6 ttp -54.57 -60.58 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -49.86 -38.0 33.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.498 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 12.6 mtm -74.34 -27.1 60.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -73.76 -39.76 63.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.657 HG23 HD12 ' A' ' 20' ' ' ILE . 50.8 mt -70.61 -26.99 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.698 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -94.93 -8.08 38.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 33' ' ' MET . 51.4 mt-30 -99.98 -41.77 7.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.97 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -98.47 -34.91 10.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.628 ' CD2' HG21 ' A' ' 20' ' ' ILE . 20.2 m80 -113.5 46.39 1.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 t -65.52 -34.72 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -97.52 -24.59 15.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -81.74 39.84 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 39' ' ' HIS . 3.4 p -158.57 146.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.93 -57.51 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -87.7 136.57 32.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 58' ' ' LYS . 80.9 m-85 -104.36 141.52 36.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -123.5 136.7 54.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.5 t -65.75 129.23 94.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 2.54 3.45 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.539 ' CD2' ' CD2' ' A' ' 65' ' ' LEU . 36.0 m-70 -116.47 -72.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.3 p -102.94 177.23 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -90.56 76.65 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.6 m -128.7 124.98 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.28 136.45 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.526 HG13 HD12 ' A' ' 61' ' ' LEU . 23.1 mm -122.84 125.16 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.64 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.28 170.79 8.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 3.6 ttmm -63.53 -56.26 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.4 t -42.11 -36.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.12 -36.57 64.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.526 HD12 HG13 ' A' ' 55' ' ' ILE . 14.2 tp -43.04 -60.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -39.32 -58.46 2.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.1 t -42.52 -43.62 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -71.09 -39.19 72.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.539 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 28.2 mt -66.67 -28.04 68.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -89.93 -36.56 14.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -73.13 -71.76 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -61.4 -46.97 87.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -107.62 -175.86 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.545 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 39.8 t -109.61 130.61 55.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 70' ' ' SER . 10.7 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 71.0 mttt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.577 0.703 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -0.38 6.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.377 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 67.7 m-85 -128.11 150.62 49.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -160.48 142.8 12.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.9 t -76.29 123.28 25.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -82.65 18.42 1.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.751 HG21 ' CD2' ' A' ' 39' ' ' HIS . 79.1 mt -113.41 -49.15 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 30.2 p -117.16 -5.72 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.2 m80 73.81 30.15 1.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.476 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -85.56 107.13 17.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 20.5 mmt180 -63.22 156.07 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.525 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 83.2 m-85 -147.53 131.14 16.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.405 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -72.87 -16.23 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -131.32 167.07 19.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 76.4 p -86.69 -49.76 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -50.57 -45.08 47.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -61.25 -47.87 84.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 111.108 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.525 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 40.2 ttp -59.87 -55.46 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -50.18 -45.85 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.49 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -65.25 -33.01 74.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -68.96 -37.82 79.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.613 HG23 HD12 ' A' ' 20' ' ' ILE . 47.3 mt -72.58 -31.77 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -92.08 -8.15 46.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 33' ' ' MET . 12.5 mm100 -101.71 -41.48 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -95.96 -33.23 12.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.751 ' CD2' HG21 ' A' ' 20' ' ' ILE . 20.2 m80 -117.45 44.29 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 t -60.23 -37.94 81.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -98.74 -24.63 14.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -81.47 41.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 44' ' ' ALA . 4.9 p -151.91 152.95 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.422 ' N ' HG22 ' A' ' 43' ' ' VAL . . . -92.29 -68.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HD3' HG21 ' A' ' 54' ' ' VAL . 37.2 mttm -92.45 140.25 29.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -106.1 102.06 11.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -83.42 116.34 22.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -44.87 136.32 4.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 5.25 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.518 ' CE1' ' HH ' ' A' ' 71' ' ' TYR . 48.1 m-70 -124.29 -65.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.9 p -106.99 -177.38 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.55 82.22 3.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.4 m -142.64 115.72 8.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.55 HG21 ' HD3' ' A' ' 45' ' ' LYS . 81.9 t -64.08 141.0 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 57' ' ' ARG . 38.1 mm -125.77 80.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -36.79 -72.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.59 ' O ' HG22 ' A' ' 55' ' ' ILE . 36.6 ttp85 -72.03 130.75 41.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -57.77 -66.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.5 t -39.68 -55.77 1.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -38.48 -40.12 0.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.428 ' CA ' HG21 ' A' ' 55' ' ' ILE . 65.7 tp -38.15 -49.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.04 -56.06 25.01 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.1 t -47.12 -44.83 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -67.78 -26.32 66.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.433 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 35.1 mt -78.14 -26.38 47.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -91.37 -32.65 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -77.0 -70.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -60.24 -45.95 91.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -109.19 -179.93 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.3 m -101.25 103.78 14.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.518 ' HH ' ' CE1' ' A' ' 50' ' ' HIS . 4.7 m-85 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 54.7 mttp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.557 0.694 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.6 Cg_endo -69.77 4.86 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.374 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 73.7 m-85 -129.99 151.57 50.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 28.2 tt0 -163.59 148.71 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.427 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 43.6 t -78.95 126.96 31.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -84.43 14.57 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.713 HG21 ' CD2' ' A' ' 39' ' ' HIS . 90.4 mt -111.81 -52.4 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.2 p -109.3 -3.05 17.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 66.21 36.3 5.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.594 ' O ' ' CE2' ' A' ' 25' ' ' PHE . . . -94.85 107.97 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -60.08 161.05 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 23' ' ' ALA . 88.8 m-85 -153.22 126.48 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 t -71.45 -15.96 62.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -123.11 154.5 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 54.1 p -78.1 -53.77 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.45 -50.99 28.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.4 m -52.27 -50.2 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.731 0.3 . . . . 0.0 111.121 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.4 ttp -58.1 -62.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.453 ' CD ' ' O ' ' A' ' 28' ' ' SER . 0.4 OUTLIER -47.35 -47.41 25.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.429 ' HG3' ' CB ' ' A' ' 49' ' ' PRO . 32.1 mtm -63.44 -40.75 97.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -59.36 -38.63 80.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.635 HG23 HD12 ' A' ' 20' ' ' ILE . 32.5 mt -69.57 -32.68 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -91.88 -8.13 47.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -98.37 -38.85 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -101.94 -34.98 9.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.713 ' CD2' HG21 ' A' ' 20' ' ' ILE . 19.2 m80 -114.0 50.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 t -69.69 -33.89 73.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.87 -32.8 12.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -75.45 50.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.4 p -170.28 144.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.15 -66.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -95.65 151.38 19.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -108.0 160.39 15.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -136.23 121.44 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.9 t -47.08 130.13 9.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.717 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.434 ' HA ' ' CB ' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.78 8.63 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -124.2 -70.95 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.7 p -104.64 174.09 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -83.23 81.47 8.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.4 m -131.84 114.49 14.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 99.8 t -72.37 126.98 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.3 mm -119.59 143.55 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.61 -75.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -68.49 112.88 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -46.37 -46.95 18.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 t -52.59 -39.23 61.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.39 -39.04 88.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.0 tp -38.76 -42.43 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.85 -48.12 83.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.688 HG12 ' HD3' ' A' ' 67' ' ' LYS . 58.2 t -52.37 -43.05 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 111.109 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.557 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 59.5 t60 -68.81 -32.19 71.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.429 HD22 ' CE1' ' A' ' 71' ' ' TYR . 22.3 mt -73.18 -33.49 65.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -82.62 -35.88 26.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.688 ' HD3' HG12 ' A' ' 63' ' ' VAL . 3.2 mtpm? -72.73 -70.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.557 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 10.2 mm100 -62.46 -48.18 80.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -109.67 -176.24 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.4 t -110.84 102.43 10.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.429 ' CE1' HD22 ' A' ' 65' ' ' LEU . 5.9 m-85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mptt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.565 0.698 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 0.64 5.4 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 63.3 m-85 -129.33 158.55 38.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -164.05 138.5 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 t -72.68 122.96 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -81.79 21.15 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.672 ' CD1' HG23 ' A' ' 35' ' ' ILE . 64.7 mt -117.93 -53.4 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 29.1 p -111.52 -0.21 16.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.3 m80 67.9 31.19 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.507 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -85.56 112.94 21.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -70.41 144.16 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.456 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 91.4 m-85 -138.87 129.8 26.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.674 HG23 ' HG2' ' A' ' 27' ' ' GLN . 9.0 t -73.98 -18.14 60.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.153 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.674 ' HG2' HG23 ' A' ' 26' ' ' THR . 21.4 mm100 -127.37 146.7 50.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 97.4 p -67.71 -50.66 56.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.808 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.61 -55.53 10.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.9 m -50.46 -50.37 52.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.456 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 37.5 ttp -58.27 -61.92 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -44.84 -47.4 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.404 ' HG3' ' CB ' ' A' ' 49' ' ' PRO . 11.5 mtm -63.63 -37.21 86.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -63.07 -40.55 98.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.672 HG23 ' CD1' ' A' ' 20' ' ' ILE . 45.6 mt -68.02 -29.35 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.872 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -94.74 -8.08 38.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -99.83 -39.55 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -100.62 -34.14 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.899 ' O ' HG12 ' A' ' 43' ' ' VAL . 17.1 m80 -114.52 41.4 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 t -56.87 -42.5 79.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 16.2 pt-20 -93.89 -49.01 6.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 6.5 m120 -40.78 -38.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.899 HG12 ' O ' ' A' ' 39' ' ' HIS . 7.3 p -80.07 149.74 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.78 -58.82 2.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -97.86 132.71 43.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.402 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 2.9 m-85 -92.08 161.54 14.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' CYS . 8.7 m-70 -150.65 116.91 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' HIS . 44.6 t -35.86 133.82 0.54 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.404 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.7 Cg_endo -69.79 5.39 1.73 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.574 ' CE1' ' HH ' ' A' ' 71' ' ' TYR . 41.5 m-70 -125.3 -68.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.0 p -99.59 176.08 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 16.7 p-10 -91.58 91.2 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.3 m -141.59 124.51 16.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.67 126.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.685 HG22 ' O ' ' A' ' 57' ' ' ARG . 51.5 mm -118.42 77.22 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -28.07 -74.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.685 ' O ' HG22 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -90.01 145.71 24.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 61' ' ' LEU . 12.0 tptp -55.54 -56.62 18.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 58' ' ' LYS . 4.2 m -36.74 -55.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -44.69 -42.95 8.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.47 ' N ' HG21 ' A' ' 55' ' ' ILE . 45.7 tp -36.93 -49.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.5 -54.06 39.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.697 HG12 ' HD3' ' A' ' 67' ' ' LYS . 94.6 t -48.37 -40.84 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.493 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 59.1 t60 -69.66 -38.07 76.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.25 -37.7 81.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -77.44 -36.79 52.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.697 ' HD3' HG12 ' A' ' 63' ' ' VAL . 3.6 mtpm? -73.36 -73.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.493 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 15.6 mm-40 -57.72 -49.41 76.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -107.81 -176.91 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 t -112.38 87.62 2.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.574 ' HH ' ' CE1' ' A' ' 50' ' ' HIS . 6.4 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 71.3 mttt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.584 0.707 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.4 Cg_endo -69.76 3.36 2.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 62.0 m-85 -132.11 159.17 39.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 14.4 tt0 -169.79 144.69 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 20.0 t -77.32 127.17 32.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -84.65 12.65 6.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.671 HG21 ' CD2' ' A' ' 39' ' ' HIS . 92.5 mt -109.92 -51.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.17 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.7 p -108.19 -12.6 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.4 m80 74.94 38.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.588 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -97.99 108.15 20.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 13.9 mmt180 -59.49 154.6 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 89.6 m-85 -148.1 135.75 20.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.8 t -96.81 19.48 12.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -152.23 110.78 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 88.7 p -45.39 -39.49 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.9 -52.98 40.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.3 m -50.83 -53.35 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.753 0.311 . . . . 0.0 111.119 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.403 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.3 ttp -53.28 -61.02 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -47.01 -44.52 20.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 21.9 mtm -68.34 -33.23 73.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -70.15 -37.97 75.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.1 mt -72.56 -30.06 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.759 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -93.7 -8.18 41.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 33' ' ' MET . 24.7 mm-40 -101.71 -37.54 8.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -98.62 -32.31 11.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.671 ' CD2' HG21 ' A' ' 20' ' ' ILE . 20.2 m80 -118.77 50.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 t -71.13 -23.78 62.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -97.44 -29.98 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -79.54 43.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 39' ' ' HIS . 2.7 p -168.32 138.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.48 -54.65 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -85.27 131.31 34.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' A' ' 58' ' ' LYS . 83.3 m-85 -102.21 152.82 20.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -138.22 138.98 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.428 ' C ' ' H ' ' A' ' 50' ' ' HIS . 35.4 t -66.51 126.62 92.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.489 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.76 13.13 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.342 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.428 ' H ' ' C ' ' A' ' 48' ' ' CYS . 42.1 m-70 -126.17 -72.64 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.6 p -104.4 159.35 15.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.17 82.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -133.01 135.24 45.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -83.47 140.49 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.179 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 57' ' ' ARG . 45.1 mm -128.66 121.55 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.86 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' O ' HG22 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -120.59 173.6 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' LEU . 18.9 tptp -60.86 -60.66 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -38.27 -39.08 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 61' ' ' LEU . 6.3 t0 -68.21 -44.39 75.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' LYS . 54.1 tp -35.68 -50.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -50.33 -59.08 8.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.532 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -44.25 -41.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.408 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 54.6 t60 -69.43 -32.4 71.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.2 -35.37 71.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -84.38 -33.48 23.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -73.39 -63.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.408 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 20.5 mm100 -69.63 -47.74 62.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -110.43 -178.19 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 m -113.23 107.21 15.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.964 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.493 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 66.6 mttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.577 0.703 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.2 Cg_endo -69.74 1.84 4.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 70.9 m-85 -132.27 153.5 50.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -161.91 141.12 9.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.6 t -74.64 123.33 24.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -82.4 20.02 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.702 ' CD1' HG23 ' A' ' 35' ' ' ILE . 64.2 mt -116.06 -52.46 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 31.1 p -113.21 -2.12 14.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 71.51 27.36 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.502 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -82.38 109.4 16.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.493 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 14.9 mmt180 -68.05 149.24 49.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CD1' HG22 ' A' ' 30' ' ' THR . 80.1 m-85 -139.3 137.58 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.471 HG23 ' HG3' ' A' ' 27' ' ' GLN . 2.9 t -78.23 -16.42 57.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.471 ' HG3' HG23 ' A' ' 26' ' ' THR . 46.4 mt-30 -131.55 162.89 29.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 51.5 p -82.15 -42.6 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.61 -45.1 95.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.616 HG22 ' CD1' ' A' ' 25' ' ' PHE . 73.1 m -60.22 -45.07 94.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.546 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.1 ttp -60.57 -57.52 12.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -51.07 -45.21 61.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 27.8 mmm -64.02 -24.4 67.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.885 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -80.14 -40.38 27.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.702 HG23 ' CD1' ' A' ' 20' ' ' ILE . 58.5 mt -70.49 -26.44 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.749 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -95.48 -8.4 35.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 33' ' ' MET . 20.5 mm-40 -101.99 -40.95 6.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -98.42 -33.85 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.86 ' O ' HG12 ' A' ' 43' ' ' VAL . 20.6 m80 -115.96 44.86 1.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.4 t -63.26 -30.81 71.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 11.4 pt-20 -91.11 -49.19 6.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 4.8 t-20 -46.45 -44.91 17.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.86 HG12 ' O ' ' A' ' 39' ' ' HIS . 3.3 p -70.23 147.03 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.8 -53.44 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.598 ' HE3' HG11 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -99.96 138.0 37.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.422 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 2.1 m-85 -99.95 134.35 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -124.61 125.28 43.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 50' ' ' HIS . 37.6 t -50.53 127.56 24.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.606 0.717 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 11.5 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.421 ' H ' ' C ' ' A' ' 48' ' ' CYS . 41.3 m-70 -124.91 -71.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.2 p -106.55 176.29 5.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -81.91 81.98 7.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.4 m -135.08 124.65 25.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.598 HG11 ' HE3' ' A' ' 45' ' ' LYS . 88.5 t -85.62 140.32 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' A' ' 46' ' ' PHE . 26.5 mm -127.38 143.46 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.81 -73.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 60' ' ' ASP . 7.4 tpm_? -77.34 108.53 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 57' ' ' ARG . 17.7 tptm -33.26 -44.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -55.21 -48.52 73.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 57' ' ' ARG . 47.9 m-20 -47.67 -40.62 20.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' ASP . 67.9 tp -37.49 -43.36 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.26 -50.17 70.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.756 HG12 ' HD3' ' A' ' 67' ' ' LYS . 57.4 t -52.36 -42.74 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -68.75 -29.82 68.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.2 mt -77.5 -31.9 53.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -84.29 -33.67 23.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.756 ' HD3' HG12 ' A' ' 63' ' ' VAL . 8.6 mtpp -76.58 -71.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -61.53 -48.22 82.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.971 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -107.62 -178.74 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.7 m -121.32 101.92 7.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.907 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.585 0.707 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -2.45 10.2 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 92.8 m-85 -141.79 157.88 44.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -169.3 137.82 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.8 t -71.19 125.68 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -85.83 16.72 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.679 HG21 ' CD2' ' A' ' 39' ' ' HIS . 83.9 mt -112.32 -48.02 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 26.3 p -117.65 -2.76 11.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 72.76 25.02 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.558 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -79.57 104.22 10.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 -62.44 159.54 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 85.1 m-85 -151.73 126.93 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 m -69.48 -20.26 63.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -124.2 173.86 8.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 97.5 p -90.69 -52.71 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.8 -49.02 35.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.403 HG22 ' CE1' ' A' ' 25' ' ' PHE . 37.7 m -53.67 -48.91 69.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 111.154 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.541 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 22.5 ttp -57.5 -62.0 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -45.8 -49.81 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 9.9 mmm -58.98 -32.61 69.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -72.67 -39.39 67.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.533 HG23 HD12 ' A' ' 20' ' ' ILE . 50.0 mt -71.42 -28.97 33.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.566 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.1 pp -93.72 -8.24 41.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 33' ' ' MET . 40.3 mm-40 -102.03 -40.03 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -98.08 -33.42 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.679 ' CD2' HG21 ' A' ' 20' ' ' ILE . 21.7 m80 -116.4 43.61 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 t -61.72 -30.63 70.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -96.0 -37.81 10.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -75.45 56.14 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -171.22 147.92 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.97 -73.57 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -89.86 151.08 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -108.06 161.12 15.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -134.06 125.73 28.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.0 t -54.63 136.76 63.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.586 0.708 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 7.42 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.454 ' CD2' HD21 ' A' ' 65' ' ' LEU . 55.1 m-70 -129.48 -73.53 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.1 p -97.06 -178.97 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.99 75.05 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.1 m -124.47 117.87 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.5 133.78 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.808 HG22 ' O ' ' A' ' 57' ' ' ARG . 41.2 mm -125.48 75.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -32.53 -67.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.069 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.808 ' O ' HG22 ' A' ' 55' ' ' ILE . 9.8 tpp180 -79.82 142.15 35.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -64.35 -61.49 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 t -45.78 -42.87 12.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -49.28 -41.09 36.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.565 ' CA ' HG21 ' A' ' 55' ' ' ILE . 45.7 tp -38.5 -47.09 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -55.02 -61.91 6.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.439 HG12 ' HD3' ' A' ' 67' ' ' LYS . 64.8 t -41.63 -52.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 111.134 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.527 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 57.1 t60 -57.1 -33.13 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.559 HD22 ' CZ ' ' A' ' 71' ' ' TYR . 13.1 mt -75.23 -24.24 57.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -88.08 -35.03 17.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HD3' HG12 ' A' ' 63' ' ' VAL . 13.8 mtpt -79.19 -71.37 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.527 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 8.3 mm-40 -56.56 -47.56 79.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -108.72 170.17 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -95.27 111.94 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.559 ' CZ ' HD22 ' A' ' 65' ' ' LEU . 5.0 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 26' ' ' THR . 69.3 mttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.561 0.696 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.6 Cg_endo -69.78 1.21 4.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.317 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -127.95 155.8 43.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 44.3 tt0 -160.71 152.82 20.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 37.6 t -88.0 125.27 34.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -83.45 20.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.616 HG21 ' CD2' ' A' ' 39' ' ' HIS . 77.2 mt -116.17 -52.45 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.166 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.2 p -112.95 -8.01 13.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.0 m80 74.48 35.57 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.452 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -93.44 110.72 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.441 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 15.3 mmt85 -64.44 157.34 26.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.523 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 84.1 m-85 -147.68 126.09 12.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.51 HG23 ' HG3' ' A' ' 27' ' ' GLN . 4.1 t -68.12 -19.72 64.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.51 ' HG3' HG23 ' A' ' 26' ' ' THR . 77.5 mt-30 -125.07 160.59 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 p -80.98 -45.52 16.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.71 -51.95 51.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 25' ' ' PHE . 95.4 m -51.49 -45.61 62.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.333 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.523 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 28.3 ttp -59.14 -62.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -46.13 -48.03 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.496 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 10.6 mmm -61.61 -34.71 76.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.449 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 40.5 t60 -68.89 -36.71 78.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.573 HG23 ' CD1' ' A' ' 20' ' ' ILE . 53.3 mt -73.44 -31.18 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.496 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 1.4 pp -93.0 -10.78 35.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' MET . 29.9 mm-40 -100.26 -40.81 7.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 29.4 mmtt -95.66 -33.37 12.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.616 ' CD2' HG21 ' A' ' 20' ' ' ILE . 21.2 m80 -118.01 47.29 1.6 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.1 t -63.65 -40.58 97.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -90.82 -27.5 18.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -80.14 42.61 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 39' ' ' HIS . 6.5 p -161.9 144.83 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.36 -70.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -87.6 141.88 28.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -104.82 144.64 31.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -122.49 113.44 19.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.2 t -42.12 135.56 2.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -17.1 37.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -101.72 -64.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.8 p -101.81 -174.26 2.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' THR . 2.3 p30 -86.89 -18.68 30.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' ASP . 92.1 m -32.45 122.26 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.139 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.1 t -84.88 136.73 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.2 mm -119.45 138.77 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.49 -76.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -98.17 150.58 21.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 61' ' ' LEU . 8.6 tptm -57.36 -56.59 19.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 t -38.26 -34.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 61' ' ' LEU . 14.1 t70 -70.97 -42.81 69.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 58' ' ' LYS . 47.8 tp -35.5 -38.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.19 -59.34 8.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.0 t -46.0 -39.04 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.111 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -72.94 -32.63 65.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt -72.89 -27.51 61.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -93.81 -33.38 13.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -76.07 -71.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -62.13 -49.96 73.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -99.26 167.28 10.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -89.47 97.86 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.909 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.49 ' CD ' ' HB3' ' A' ' 24' ' ' ARG . 37.0 mttp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.548 0.689 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.26 6.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 69.0 m-85 -129.31 156.41 44.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 19.7 tt0 -164.93 149.41 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 28.9 t -80.35 127.5 32.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -81.68 19.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.548 HG21 ' CD2' ' A' ' 39' ' ' HIS . 61.1 mt -122.1 -57.06 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.603 ' C ' ' CG ' ' A' ' 22' ' ' HIS . 29.0 p -106.92 12.16 29.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.603 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 1.1 p80 50.22 33.14 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.603 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -86.6 103.57 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.49 ' HB3' ' CD ' ' A' ' 14' ' ' LYS . 4.7 mmm180 -58.58 156.18 11.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.603 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 85.5 m-85 -149.48 134.37 17.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -90.42 -0.74 57.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -130.27 125.25 34.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.572 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 68.5 p -58.53 -35.2 71.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.02 -44.3 55.33 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.6 m -56.0 -51.39 67.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.718 0.295 . . . . 0.0 111.119 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.4 ttp -53.44 -60.11 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -53.04 -37.16 61.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.6 mtm -76.59 -16.89 59.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.518 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 49.1 t60 -84.73 -45.55 12.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.66 -25.67 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.936 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -94.89 -7.97 38.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.877 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.417 ' C ' ' HE2' ' A' ' 38' ' ' LYS . 7.1 mm100 -99.67 -42.91 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.518 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 10.4 mmpt? -95.06 -35.36 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.743 ' O ' HG12 ' A' ' 43' ' ' VAL . 18.0 m80 -114.96 42.11 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 t -54.75 -38.94 67.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 12.6 pt-20 -99.86 -48.62 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.459 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 5.3 m-80 -38.4 -40.13 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 39' ' ' HIS . 7.2 p -75.65 152.21 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.84 -59.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -94.7 128.66 41.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -90.86 159.24 16.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -151.24 118.05 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.1 t -38.52 132.98 1.02 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 1.66 4.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -118.37 -67.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.3 p -103.37 -176.35 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.88 91.19 5.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 m -142.25 117.45 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.07 128.91 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.543 HG22 ' O ' ' A' ' 57' ' ' ARG . 51.6 mm -118.78 76.91 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.525 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -26.84 -72.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.543 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.8 ptm180 -98.47 140.59 32.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 61' ' ' LEU . 13.7 tttp -55.78 -51.25 68.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 94.4 p -40.41 -33.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.44 ' HB3' HG23 ' A' ' 55' ' ' ILE . 10.1 t0 -73.87 -38.29 64.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.493 ' CA ' HG21 ' A' ' 55' ' ' ILE . 35.1 tp -37.08 -50.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.02 -60.81 8.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.414 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 97.1 t -42.38 -40.11 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -71.78 -38.44 70.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.0 mt -67.09 -33.89 76.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -88.75 -30.83 18.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 19.3 mmmt -74.9 -65.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -66.73 -48.09 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -107.59 179.25 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.0 m -106.64 95.43 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.902 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 25' ' ' PHE . 54.5 mttp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.55 0.691 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.0 Cg_endo -69.74 -1.31 8.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.638 2.226 . . . . 0.0 112.39 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 59.5 m-85 -126.38 160.63 29.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -167.51 140.43 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.5 t -69.48 128.26 35.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -85.32 18.83 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.767 HD12 HG23 ' A' ' 35' ' ' ILE . 72.9 mt -115.71 -54.36 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -109.14 -3.34 17.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.3 m80 68.63 35.2 3.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.587 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -92.26 107.43 19.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 mmm-85 -58.41 157.33 8.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 80.2 m-85 -149.94 118.57 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 t -60.51 -18.3 51.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -129.58 157.86 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 79.7 p -80.68 -44.41 18.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.11 -46.24 79.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.441 HG22 ' CD1' ' A' ' 25' ' ' PHE . 77.7 m -58.87 -46.11 88.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.179 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.515 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 34.2 ttp -61.48 -56.49 19.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -47.63 -48.41 28.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.449 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 8.8 mtm -64.64 -31.48 72.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.436 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 42.1 t60 -68.89 -38.97 80.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.767 HG23 HD12 ' A' ' 20' ' ' ILE . 41.5 mt -71.27 -29.5 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.631 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -93.86 -9.0 38.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 33' ' ' MET . 10.0 mm100 -101.74 -39.84 7.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 31.4 mmtt -97.72 -32.64 11.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.556 ' CD2' HG21 ' A' ' 20' ' ' ILE . 21.3 m80 -117.91 50.48 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.9 t -71.86 -33.58 68.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -86.24 -31.2 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -78.22 47.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.7 p -173.47 146.12 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.13 -57.63 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -80.66 135.1 35.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.59 ' CE1' ' HA ' ' A' ' 57' ' ' ARG . 60.8 m-85 -108.5 148.14 30.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -134.51 136.31 43.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.7 t -64.71 129.33 94.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 4.47 2.2 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -117.38 -72.59 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.4 p -99.01 171.04 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.99 77.92 8.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.2 m -129.65 150.63 50.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -95.53 139.84 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.609 HG21 ' CA ' ' A' ' 61' ' ' LEU . 26.9 mm -125.06 130.88 73.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.53 -74.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.59 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -134.7 179.97 5.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -49.64 -68.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.438 ' N ' ' HD3' ' A' ' 57' ' ' ARG . 1.4 t -40.98 -42.87 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.424 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 3.0 t70 -60.94 -43.37 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.609 ' CA ' HG21 ' A' ' 55' ' ' ILE . 54.2 tp -36.91 -54.37 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -47.08 -63.42 3.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 93.9 t -37.14 -47.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.92 0.39 . . . . 0.0 111.147 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.541 ' CG ' HD11 ' A' ' 55' ' ' ILE . 57.4 t60 -63.52 -38.81 92.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 62' ' ' GLY . 24.0 mt -67.12 -42.6 84.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 66' ' ' ARG . 6.7 mpt_? -76.03 -31.07 58.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -73.37 -76.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.06 -50.44 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -102.77 179.98 4.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 76.4 p -123.63 96.55 5.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.853 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' C ' ' A' ' 25' ' ' PHE . 41.2 mttp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.539 0.685 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 0.92 4.96 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.485 ' CE1' ' OG ' ' A' ' 28' ' ' SER . 65.5 m-85 -129.58 158.11 40.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -169.06 145.37 3.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.9 t -71.09 131.46 43.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -88.14 15.45 7.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.574 HD12 HG23 ' A' ' 35' ' ' ILE . 89.6 mt -112.74 -53.8 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.138 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 31.2 p -107.94 -7.88 16.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 m80 74.68 29.02 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.595 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -84.66 108.26 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -60.04 159.94 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 86.8 m-85 -153.41 122.86 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 t -65.27 -15.71 62.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -131.61 149.33 52.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.485 ' OG ' ' CE1' ' A' ' 16' ' ' TYR . 1.3 t -72.44 -37.14 68.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.17 -50.87 59.48 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.412 HG22 ' CD1' ' A' ' 25' ' ' PHE . 98.1 m -53.44 -41.87 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 111.15 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.49 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 15.3 ttp -67.04 -53.17 33.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 49' ' ' PRO . 16.6 mtmt -48.4 -45.11 35.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.419 ' SD ' ' CB ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -66.55 -39.8 88.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -59.86 -38.11 81.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.574 HG23 HD12 ' A' ' 20' ' ' ILE . 40.6 mt -70.5 -32.36 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.755 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -92.59 -8.01 45.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -99.44 -42.67 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -96.68 -35.31 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.504 ' CD2' HG21 ' A' ' 20' ' ' ILE . 19.7 m80 -113.76 50.34 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 t -70.52 -30.81 67.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -102.9 -28.02 12.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -76.2 47.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -167.08 148.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.14 -60.39 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HB2' HG13 ' A' ' 54' ' ' VAL . 2.9 ptmm? -89.08 133.0 34.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 57' ' ' ARG . 30.6 m-85 -101.06 107.75 19.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.647 ' NE2' HG22 ' A' ' 54' ' ' VAL . 2.8 m170 -88.68 131.82 34.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.7 t -61.68 137.54 95.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.419 ' CB ' ' SD ' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.71 -32.22 19.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.543 ' NE2' ' CD2' ' A' ' 65' ' ' LEU . 7.8 m-70 -79.44 -67.1 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.74 172.33 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.33 79.79 5.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.6 m -130.98 131.88 44.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.647 HG22 ' NE2' ' A' ' 47' ' ' HIS . 62.6 t -78.39 136.01 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.571 HG21 ' CA ' ' A' ' 61' ' ' LEU . 14.2 mm -126.57 125.27 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -37.65 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HA ' ' CD1' ' A' ' 46' ' ' PHE . 5.2 ptp85 -133.74 179.63 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.469 ' HE2' HD13 ' A' ' 36' ' ' LEU . 23.2 tptp -53.88 -62.01 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.9 p -42.4 -35.42 1.02 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.98 -38.12 66.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.571 ' CA ' HG21 ' A' ' 55' ' ' ILE . 53.9 tp -45.7 -61.34 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -37.68 -63.56 0.84 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.44 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.1 t -39.86 -45.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 111.103 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -66.6 -33.35 75.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.803 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.543 ' CD2' ' NE2' ' A' ' 50' ' ' HIS . 19.1 mt -70.3 -41.88 72.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -76.59 -32.3 58.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -75.85 -75.17 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -57.79 -49.25 77.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.972 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -105.94 178.24 4.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 90.0 p -115.95 100.56 8.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.892 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mptt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.593 0.711 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.65 3.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.362 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -134.15 156.9 47.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -160.8 147.86 15.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.1 t -79.37 125.56 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -82.73 18.87 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.693 HG21 ' CD2' ' A' ' 39' ' ' HIS . 75.0 mt -116.53 -51.58 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 30.5 p -114.57 3.75 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 63.88 30.39 14.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.502 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -82.56 114.89 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -73.17 143.07 47.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 90.1 m-85 -137.03 130.77 31.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.765 HG23 ' HG3' ' A' ' 27' ' ' GLN . 7.8 t -71.54 -21.55 61.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.765 ' HG3' HG23 ' A' ' 26' ' ' THR . 66.0 mt-30 -126.37 155.17 42.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.2 p -77.98 -32.73 51.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.14 -51.17 55.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.3 m -56.51 -45.69 80.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.15 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.549 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 59.9 ttp -59.95 -57.67 11.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 33.4 mttm -47.66 -48.08 29.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.476 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -63.73 -27.22 69.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.552 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 42.7 t60 -75.96 -37.95 58.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 20' ' ' ILE . 58.3 mt -71.71 -27.76 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -94.97 -10.59 30.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 33' ' ' MET . 19.3 mm-40 -101.64 -37.03 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.552 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 29.7 mmtt -99.05 -30.97 12.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.693 ' CD2' HG21 ' A' ' 20' ' ' ILE . 21.1 m80 -121.06 48.29 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.0 t -65.51 -41.04 93.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -94.33 -23.22 17.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -82.5 43.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.407 HG22 ' N ' ' A' ' 44' ' ' ALA . 4.1 p -159.52 152.85 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.407 ' N ' HG22 ' A' ' 43' ' ' VAL . . . -94.25 -67.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -88.79 145.21 25.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 11.1 m-85 -110.12 101.84 10.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' CYS . 16.0 m-70 -83.57 108.56 16.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' HIS . 30.1 t -37.81 137.48 0.7 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 32' ' ' LYS . 53.8 Cg_endo -69.78 10.58 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -132.06 -67.45 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.9 p -105.64 179.83 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -91.74 80.16 5.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.7 m -135.04 118.59 16.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.5 t -71.88 136.13 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 57' ' ' ARG . 37.7 mm -124.01 82.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -29.65 -71.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.687 ' O ' HG22 ' A' ' 55' ' ' ILE . 23.3 ptt180 -100.51 149.6 23.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.583 ' HG2' ' CE2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -68.43 -46.74 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 p -40.76 -30.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' LEU . 1.6 t70 -83.67 -37.48 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' LYS . 47.9 tp -38.05 -53.72 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -49.95 -58.21 8.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.523 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.5 t -44.9 -43.27 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 111.164 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.401 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 56.3 t60 -69.07 -38.77 79.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.407 HD22 ' CE2' ' A' ' 71' ' ' TYR . 16.2 mt -68.74 -21.91 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -93.78 -42.97 8.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -73.56 -72.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.401 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 11.4 mm-40 -57.41 -48.65 78.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -104.86 171.0 7.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.6 t -102.94 97.4 7.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.407 ' CE2' HD22 ' A' ' 65' ' ' LEU . 9.6 m-85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.962 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.474 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 49.1 mttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 4.25 2.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 68.7 m-85 -133.85 166.1 23.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -175.05 139.76 0.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.8 t -69.82 124.19 23.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -81.76 18.63 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.548 HD12 HG23 ' A' ' 35' ' ' ILE . 58.7 mt -116.48 -52.85 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 32.0 p -111.99 2.58 16.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.0 m80 65.91 26.98 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.551 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -79.97 102.73 9.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.474 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 5.5 mmt85 -61.75 152.96 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 81.5 m-85 -146.08 131.56 18.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.617 HG23 ' HG2' ' A' ' 27' ' ' GLN . 6.2 t -74.18 -16.55 60.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.617 ' HG2' HG23 ' A' ' 26' ' ' THR . 14.5 mm-40 -133.87 150.95 51.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 95.6 p -72.02 -50.51 27.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.75 -39.3 16.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.9 m -69.76 -47.29 63.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 111.137 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.454 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 28.9 ttp -59.21 -52.36 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -57.65 -38.9 75.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.423 ' HG3' ' CB ' ' A' ' 49' ' ' PRO . 9.6 mtm -72.7 -15.92 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 46.7 t60 -85.95 -43.31 13.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.548 HG23 HD12 ' A' ' 20' ' ' ILE . 60.3 mt -63.71 -26.42 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.14 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.947 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -93.73 -8.19 41.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.428 ' C ' ' HE2' ' A' ' 38' ' ' LYS . 53.5 mt-30 -100.18 -42.39 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.563 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 10.7 mmpt? -94.84 -34.7 12.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.518 ' CD2' HG21 ' A' ' 20' ' ' ILE . 15.3 m80 -115.79 45.44 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 t -61.23 -39.26 89.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -100.29 -28.38 13.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -77.67 50.44 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 39' ' ' HIS . 5.7 p -165.63 149.64 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.93 -58.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.629 ' HE3' HG11 ' A' ' 54' ' ' VAL . 14.4 tttp -88.04 129.45 35.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -100.69 150.2 23.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -133.39 138.04 46.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.411 ' C ' ' H ' ' A' ' 50' ' ' HIS . 38.9 t -65.74 129.85 94.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.423 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.77 10.43 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.433 ' NE2' ' CD2' ' A' ' 65' ' ' LEU . 20.6 m-70 -124.45 -71.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.6 p -105.39 164.2 12.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -75.7 78.7 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.3 m -128.06 137.05 52.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.629 HG11 ' HE3' ' A' ' 45' ' ' LYS . 95.0 t -89.56 140.67 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.488 HG21 ' N ' ' A' ' 61' ' ' LEU . 25.6 mm -128.94 133.09 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.9 -72.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 ptt-85 -122.13 -178.74 3.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' LEU . 12.0 tptm -62.13 -63.32 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.1 m -38.95 -42.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.02 -44.09 97.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.488 ' N ' HG21 ' A' ' 55' ' ' ILE . 63.2 tp -39.87 -45.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -54.17 -63.31 5.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.8 t -37.82 -44.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 111.092 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -68.33 -37.79 80.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' GLY . 14.8 mt -63.06 -40.49 97.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -81.62 -35.95 29.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -67.98 -61.93 1.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -72.22 -50.32 28.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -107.85 177.74 4.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.0 m -106.48 95.53 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.896 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 33.0 mttt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.569 0.699 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -1.65 8.79 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 63.6 m-85 -127.68 159.34 35.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.94 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -169.22 143.83 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' HG12 ' A' ' 35' ' ' ILE . 20.3 t -75.9 122.66 24.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -81.21 19.09 0.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.404 HD12 HG23 ' A' ' 35' ' ' ILE . 77.8 mt -117.71 -51.9 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 30.1 p -111.28 2.25 17.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 63.67 33.49 13.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.514 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -89.05 106.99 18.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 12.7 mmt85 -65.51 150.58 48.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 96.5 m-85 -145.75 139.75 26.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.479 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 9.0 t -99.88 17.21 21.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.127 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -147.4 111.22 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.498 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 78.9 p -45.29 -39.29 6.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.67 -44.55 81.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.8 m -58.22 -54.58 45.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.34 . . . . 0.0 111.127 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 26.2 ttp -50.37 -56.79 9.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -54.29 -45.84 72.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.415 ' HG3' ' CB ' ' A' ' 49' ' ' PRO . 8.6 mtm -64.6 -23.57 67.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.532 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 50.8 t60 -78.49 -45.78 21.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.404 HG23 HD12 ' A' ' 20' ' ' ILE . 59.7 mt -61.97 -25.09 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.761 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -95.68 -7.28 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.434 ' C ' ' HE2' ' A' ' 38' ' ' LYS . 19.5 mm-40 -100.8 -43.07 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 10.7 mmpt? -94.37 -34.3 12.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.451 ' O ' HG12 ' A' ' 43' ' ' VAL . 14.3 m80 -116.48 42.48 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.7 t -56.25 -38.74 71.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -99.35 -30.51 12.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -77.15 57.34 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 39' ' ' HIS . 3.8 p -170.1 147.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.26 -68.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -83.03 135.75 34.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -101.29 101.86 12.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -84.63 126.09 33.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.5 t -55.35 134.38 69.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.66 0.743 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.415 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.77 7.31 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -126.36 -72.38 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.9 p -97.23 169.25 9.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.5 69.49 10.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.8 m -122.26 139.33 53.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -89.4 138.42 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.575 HG21 ' N ' ' A' ' 61' ' ' LEU . 21.5 mm -126.5 129.81 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.94 -76.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.25 175.01 7.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.688 ' HE2' HD13 ' A' ' 36' ' ' LEU . 26.8 tptp -54.06 -66.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' LYS . 14.9 p -36.87 -41.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.77 -43.3 96.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.575 ' N ' HG21 ' A' ' 55' ' ' ILE . 58.8 tp -40.12 -53.36 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -45.49 -58.73 5.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.404 HG13 ' HD3' ' A' ' 67' ' ' LYS . 96.1 t -41.96 -44.34 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 111.116 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.406 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 55.9 t60 -67.94 -33.39 74.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' GLY . 26.9 mt -73.95 -26.61 60.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -88.38 -39.95 13.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -75.55 -74.18 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.406 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 4.2 mm100 -56.5 -47.13 79.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -106.39 173.34 6.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.4 t -113.13 103.59 11.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.863 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 24' ' ' ARG . 38.5 mttp . . . . . 0 C--O 1.23 0.056 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.726 2.284 . . . . 0.0 112.29 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 71.9 m-85 -132.44 156.09 47.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -165.72 139.51 4.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -71.73 123.55 22.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -81.84 16.34 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.74 HG21 ' CD2' ' A' ' 39' ' ' HIS . 86.8 mt -111.94 -49.29 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 31.9 p -117.14 1.56 12.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 66.55 30.79 8.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.594 ' O ' ' CE2' ' A' ' 25' ' ' PHE . . . -83.85 105.07 14.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 6.8 mmt85 -62.55 154.07 29.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 23' ' ' ALA . 95.9 m-85 -151.17 128.5 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.608 HG23 ' HG3' ' A' ' 27' ' ' GLN . 6.9 t -71.78 -17.37 62.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.608 ' HG3' HG23 ' A' ' 26' ' ' THR . 67.4 mt-30 -126.92 158.04 37.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 94.1 p -82.06 -48.67 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -51.8 -43.19 54.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -64.23 -44.49 91.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.347 . . . . 0.0 111.166 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.462 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 40.0 ttp -66.07 -55.56 15.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -47.25 -45.84 23.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.491 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 8.4 mtm -65.11 -40.13 94.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.464 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 27.6 t60 -60.76 -36.36 78.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.568 HG23 HD12 ' A' ' 20' ' ' ILE . 42.3 mt -70.86 -34.66 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.508 HD13 ' HE3' ' A' ' 58' ' ' LYS . 1.4 pp -90.56 -11.69 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -96.81 -37.15 10.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 30.9 mmtt -99.77 -35.57 9.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.74 ' CD2' HG21 ' A' ' 20' ' ' ILE . 19.4 m80 -115.42 46.01 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 36' ' ' LEU . 1.1 t -59.5 -39.46 83.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -93.93 -31.33 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -77.87 54.33 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 39' ' ' HIS . 6.9 p -170.62 146.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.17 -68.06 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -80.96 133.66 35.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 57' ' ' ARG . 57.1 m-85 -100.45 101.73 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -83.65 129.98 34.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.4 t -57.52 135.07 82.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -21.43 33.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.391 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.721 ' NE2' HD22 ' A' ' 65' ' ' LEU . 16.9 m-70 -92.49 -67.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 p -105.0 178.97 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.29 81.18 3.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.7 m -133.26 141.42 48.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.0 t -84.22 137.02 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.645 HG21 ' HA ' ' A' ' 61' ' ' LEU . 17.2 mm -128.0 128.68 69.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.53 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.563 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 13.2 ptm180 -135.7 -176.77 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.508 ' HE3' HD13 ' A' ' 36' ' ' LEU . 13.4 tptm -54.52 -68.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' LYS . 7.7 m -38.08 -44.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -41.06 98.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.645 ' HA ' HG21 ' A' ' 55' ' ' ILE . 20.6 tp -45.13 -61.85 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' LEU . . . -36.43 -59.25 1.03 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.7 t -41.78 -45.13 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.402 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 59.9 t60 -71.73 -41.03 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.721 HD22 ' NE2' ' A' ' 50' ' ' HIS . 35.2 mt -65.75 -23.7 66.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -93.74 -42.02 9.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 2.6 mptt -70.66 -71.83 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.402 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 31.9 mm-40 -59.89 -48.29 82.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -103.59 -175.57 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.9 m -104.59 103.97 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.669 ' CE2' HD13 ' A' ' 65' ' ' LEU . 4.7 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 6.3 mptt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.637 0.732 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.9 Cg_endo -69.76 2.97 3.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.716 2.278 . . . . 0.0 112.364 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 81.1 m-85 -135.32 154.28 51.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -162.93 141.3 8.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 t -73.09 123.65 24.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -83.23 16.46 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.73 HG21 ' CD2' ' A' ' 39' ' ' HIS . 90.4 mt -112.97 -51.42 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.1 p -110.1 -10.78 14.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.7 m80 74.86 37.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.605 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -97.32 107.11 19.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -58.94 156.17 12.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 87.2 m-85 -150.25 130.23 13.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -86.7 3.39 45.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -136.0 122.73 21.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 89.8 p -56.28 -37.58 70.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.98 -51.9 36.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.8 m -50.43 -51.54 45.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.402 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.7 ttp -52.4 -61.09 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -51.24 -38.57 53.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.8 mtm -71.5 -21.61 61.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.456 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 35.9 t60 -82.25 -39.78 22.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.441 HG23 HD12 ' A' ' 20' ' ' ILE . 71.5 mt -67.5 -30.32 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.834 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -89.52 -7.31 55.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -102.15 -41.96 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 29.8 mmtt -97.66 -30.68 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.819 ' O ' HG12 ' A' ' 43' ' ' VAL . 21.3 m80 -119.97 46.03 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.469 ' CB ' ' HZ3' ' A' ' 58' ' ' LYS . 3.4 t -64.21 -34.11 77.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 19.2 pt-20 -89.44 -49.6 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 6.0 t-20 -42.2 -45.75 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.819 HG12 ' O ' ' A' ' 39' ' ' HIS . 3.1 p -73.77 144.26 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.23 -63.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.68 ' HE3' HG11 ' A' ' 54' ' ' VAL . 15.5 tttp -93.01 141.62 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.594 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 10.6 m-85 -102.39 146.71 27.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -137.64 134.89 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.4 ' C ' ' H ' ' A' ' 50' ' ' HIS . 44.3 t -58.43 125.68 76.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 9.82 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.377 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.4 ' H ' ' C ' ' A' ' 48' ' ' CYS . 40.7 m-70 -123.48 -71.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.3 p -107.51 177.92 4.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -83.03 85.65 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.4 m -136.09 112.12 9.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.68 HG11 ' HE3' ' A' ' 45' ' ' LYS . 96.6 t -74.14 133.66 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.4 mm -122.28 136.21 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.68 -70.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.47 158.03 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.594 ' HG2' ' CE2' ' A' ' 46' ' ' PHE . 0.7 OUTLIER -65.31 -50.49 65.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -40.93 -31.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.01 -38.12 16.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 58' ' ' LYS . 58.8 tp -38.48 -51.67 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -49.6 -57.84 9.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.3 t -40.94 -42.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 111.144 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.466 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 54.3 t60 -69.48 -38.71 77.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.683 HD22 ' CE1' ' A' ' 71' ' ' TYR . 20.8 mt -70.33 -28.43 65.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.3 mtm-85 -85.59 -42.89 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -71.73 -74.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.466 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 38.3 mm-40 -56.35 -49.09 75.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -106.86 -176.92 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.5 m -104.25 106.41 16.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.683 ' CE1' HD22 ' A' ' 65' ' ' LEU . 12.4 m-85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -169.04 108.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 p -136.57 175.54 9.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.91 116.49 0.38 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -153.91 139.78 18.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.8 p -117.79 151.0 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.63 85.11 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -141.5 110.92 6.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 78.2 m -130.13 130.51 44.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -156.29 117.92 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.819 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.9 p -58.73 130.35 46.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.24 117.0 4.16 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.553 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -106.69 131.66 53.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.913 0.387 . . . . 0.0 110.903 -179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -150.94 104.98 3.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 2.86 3.19 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.633 2.222 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 61.1 m-85 -130.91 155.84 46.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -163.27 145.08 9.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.3 t -79.6 124.57 28.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -83.11 16.91 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.737 HD12 HG23 ' A' ' 35' ' ' ILE . 78.7 mt -113.93 -47.87 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 30.8 p -116.54 -6.62 11.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.8 m80 73.65 27.12 1.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.584 ' O ' ' CE2' ' A' ' 25' ' ' PHE . . . -83.05 108.41 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -63.23 156.13 26.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 23' ' ' ALA . 97.2 m-85 -151.65 135.21 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -90.53 0.84 57.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -131.72 129.06 40.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 93.9 p -61.67 -34.54 75.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.58 -48.34 29.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.53 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.3 m -53.74 -48.59 69.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.147 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.423 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.4 ttp -56.15 -61.85 2.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -47.4 -42.87 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.488 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 15.4 mtm -69.28 -28.08 65.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.418 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 33.7 t60 -73.0 -41.69 64.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.737 HG23 HD12 ' A' ' 20' ' ' ILE . 55.3 mt -65.83 -30.02 48.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.56 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -92.29 -9.68 41.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -97.06 -41.19 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 35.5 mmtt -97.58 -32.32 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' CE1' ' CG2' ' A' ' 20' ' ' ILE . 50.2 m-70 -118.89 57.8 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.4 t -77.61 -30.98 52.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -97.3 -25.08 15.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -85.21 44.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 45' ' ' LYS . 3.4 p -160.98 133.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.41 -61.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.51 ' NZ ' HG11 ' A' ' 54' ' ' VAL . 26.8 mmtt -85.01 145.4 27.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' ' HA ' ' A' ' 57' ' ' ARG . 55.8 m-85 -112.63 134.46 54.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -116.39 142.3 47.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.3 t -68.47 126.94 93.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.426 ' NE2' HD21 ' A' ' 65' ' ' LEU . 28.0 m-70 -116.3 -71.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 p -103.41 174.55 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -89.22 91.29 8.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.6 m -145.86 142.54 28.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.51 HG11 ' NZ ' ' A' ' 45' ' ' LYS . 74.2 t -84.0 142.72 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.8 mm -130.41 122.61 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -41.0 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.586 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 1.3 ptm180 -131.57 172.0 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 6.3 ttmt -52.44 -61.29 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.3 p -41.72 -38.42 1.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.45 -41.11 85.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.0 tp -39.79 -57.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -41.23 -53.31 4.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.8 t -49.09 -46.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -66.51 -39.09 88.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 71' ' ' TYR . 16.7 mt -65.9 -25.57 67.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -91.45 -41.27 10.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -71.69 -74.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -59.46 -49.84 76.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -103.22 -177.04 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.3 t -117.8 92.68 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.471 ' CD1' HD22 ' A' ' 65' ' ' LEU . 11.3 m-85 -128.75 87.83 2.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 t -160.27 160.79 33.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.92 136.54 35.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 84.97 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 m -119.62 139.64 51.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 74.8 m -88.49 85.17 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.519 -179.963 . . . . . . . . 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 1.452 -0.274 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -167.33 138.68 3.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.906 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -151.6 172.41 16.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.72 112.54 1.32 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 p -170.05 149.04 3.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.1 t -121.67 153.44 38.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.89 70.85 0.19 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -85.46 41.86 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.7 p -43.02 110.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -63.25 85.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -98.18 114.78 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.93 62.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.438 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 5.6 tt0 -85.63 -40.34 16.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HD2' ' C ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -150.33 105.92 3.14 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.1 Cg_endo -69.74 3.18 2.91 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.371 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 76.4 m-85 -134.56 157.24 47.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -162.73 139.82 7.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.7 t -73.49 124.48 25.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -82.47 19.33 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.705 HD12 HG23 ' A' ' 35' ' ' ILE . 74.4 mt -116.53 -51.48 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 27.1 p -114.03 3.05 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 62.72 32.97 15.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.523 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -87.52 112.58 22.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -66.9 149.57 50.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 86.5 m-85 -144.36 140.24 28.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.9 t -98.47 16.79 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -150.21 118.48 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 85.2 p -50.34 -38.46 42.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.22 -50.7 43.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.2 m -51.7 -51.81 53.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.821 0.343 . . . . 0.0 111.139 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.8 ttp -54.23 -62.32 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -45.78 -46.29 15.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.485 ' HA ' HD23 ' A' ' 36' ' ' LEU . 10.2 mtm -65.03 -39.26 93.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -62.09 -38.92 90.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.705 HG23 HD12 ' A' ' 20' ' ' ILE . 45.3 mt -69.42 -30.84 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.656 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -92.05 -8.4 46.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -99.42 -41.98 7.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -98.11 -30.7 12.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.776 ' O ' HG12 ' A' ' 43' ' ' VAL . 57.2 m-70 -119.36 48.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 t -66.09 -31.3 72.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 12.1 pt-20 -92.2 -50.19 5.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.401 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 4.7 t-20 -46.7 -44.13 18.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.776 HG12 ' O ' ' A' ' 39' ' ' HIS . 7.4 p -69.3 147.85 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.99 -64.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -94.55 132.2 39.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -91.51 103.74 16.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -90.19 115.18 27.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.5 t -41.93 134.6 2.32 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 0.64 5.34 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.617 ' CD2' ' CD2' ' A' ' 65' ' ' LEU . 35.6 m-70 -118.34 -70.25 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.3 p -101.2 -178.57 3.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -97.36 75.07 2.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 m -125.6 121.78 34.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.1 t -72.58 125.66 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.1 mm -118.2 137.92 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.17 -75.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.051 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.42 117.53 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -47.87 -51.32 23.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.1 t -56.14 -48.05 77.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 61' ' ' LEU . 4.9 m-20 -48.35 -41.66 29.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' ASP . 68.0 tp -37.19 -44.66 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.11 -51.51 57.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.512 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.6 t -48.38 -40.95 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 58.6 t60 -69.53 -32.01 70.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.617 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 18.0 mt -73.33 -33.96 65.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -87.33 -27.63 22.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -79.4 -66.86 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.537 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 18.3 mm-40 -65.17 -46.82 79.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -107.62 167.57 9.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.6 t -89.31 98.81 11.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -134.99 28.07 3.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -107.16 101.7 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.64 65.82 0.47 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.84 3.19 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.672 2.248 . . . . 0.0 112.321 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.0 t 72.5 41.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.2 m -65.67 166.68 10.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.533 179.991 . . . . . . . . 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 -0.327 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 3' ' ' SER . 4.0 t -101.06 134.56 43.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 110.849 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 2' ' ' SER . 22.6 t -34.93 135.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.79 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.63 -75.56 0.42 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p -79.51 160.81 26.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -127.37 -49.09 1.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.12 164.85 15.08 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.1 mmm-85 -96.36 141.31 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.5 p -136.37 154.76 50.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -74.54 137.97 42.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 m -128.04 151.76 48.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.76 179.39 36.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -127.29 116.39 20.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.398 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 86.2 mttt -145.72 104.97 4.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.549 0.69 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.1 Cg_endo -69.73 -0.23 6.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.311 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 64.2 m-85 -127.6 151.9 48.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -161.02 147.83 15.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 t -80.09 125.19 29.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -83.05 18.67 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.508 HD12 HG23 ' A' ' 35' ' ' ILE . 76.0 mt -116.12 -50.65 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 28.0 p -115.0 0.73 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.7 m80 67.82 26.42 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -79.49 112.68 16.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -69.6 153.77 42.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.492 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 97.3 m-85 -149.07 130.96 15.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.474 HG23 ' HG3' ' A' ' 27' ' ' GLN . 2.0 t -74.85 -13.92 60.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.474 ' HG3' HG23 ' A' ' 26' ' ' THR . 91.1 mt-30 -132.48 160.37 36.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 79.5 p -83.4 -33.35 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.6 -44.72 94.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.5 m -65.37 -36.64 84.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.492 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 32.4 ttp -71.43 -54.28 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -50.83 -46.24 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.456 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 9.1 mtt -65.03 -33.04 75.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -69.19 -36.46 77.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.508 HG23 HD12 ' A' ' 20' ' ' ILE . 53.7 mt -73.97 -30.4 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -93.8 -7.89 42.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 33' ' ' MET . 13.3 mm-40 -101.75 -41.63 6.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -96.07 -33.87 11.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.559 ' O ' HG12 ' A' ' 43' ' ' VAL . 61.5 m-70 -116.37 45.21 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.3 t -63.04 -34.77 78.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -91.36 -34.95 14.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -79.78 44.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 39' ' ' HIS . 7.3 p -160.7 143.66 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.82 -54.13 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -83.83 109.98 17.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' ' HG2' ' A' ' 58' ' ' LYS . 75.7 m-85 -86.96 108.09 18.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -89.75 129.31 36.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.0 t -58.27 128.72 82.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 3.73 2.59 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.643 2.229 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -118.58 -71.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.7 p -103.22 -177.48 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -96.0 73.36 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.6 m -123.13 135.08 54.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.9 132.05 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.531 HG21 ' HA ' ' A' ' 61' ' ' LEU . 49.1 mm -122.13 123.04 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.24 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.412 ' HA ' ' CE2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -129.54 177.52 7.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.586 ' HG2' ' CE1' ' A' ' 46' ' ' PHE . 9.0 mmtp -59.41 -59.41 5.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.5 t -42.94 -28.33 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.64 -33.03 18.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.531 ' HA ' HG21 ' A' ' 55' ' ' ILE . 43.7 tp -43.14 -49.05 6.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -51.84 -60.88 6.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.447 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.423 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 93.8 t -38.04 -41.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -71.29 -38.09 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 62' ' ' GLY . 39.6 mt -67.62 -39.47 84.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -80.87 -32.46 34.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 16.7 mmtp -73.56 -68.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -66.1 -50.18 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -104.52 178.52 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.8 t -114.5 105.73 13.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -139.18 105.25 5.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.8 p -127.71 125.38 39.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -43.72 -69.33 0.69 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -178.8 2.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.624 2.216 . . . . 0.0 112.375 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.2 m -86.73 -43.09 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 m -131.17 -58.1 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.457 -179.995 . . . . . . . . 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 -0.303 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -168.91 130.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.384 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -171.99 168.5 5.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.69 87.61 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 38.9 t -77.06 -49.0 16.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 6.3 t -36.34 128.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.1 48.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.531 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 42.64 40.79 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 110.899 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.7 m -155.71 119.63 4.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -112.23 -53.31 2.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 m -158.99 157.59 31.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.81 -150.6 12.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 13' ' ' GLU . 1.0 OUTLIER -125.11 77.81 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.912 0.387 . . . . 0.0 110.854 -179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 30.7 mttp -142.15 106.58 5.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.702 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.8 Cg_endo -69.79 0.94 4.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.298 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 54.8 m-85 -128.16 154.77 45.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -161.21 140.08 10.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.0 t -74.29 124.97 27.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -82.8 18.8 1.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.514 HD12 ' CD2' ' A' ' 39' ' ' HIS . 75.3 mt -116.99 -51.92 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 31.7 p -112.03 -0.17 15.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.4 m80 66.17 29.86 9.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -85.41 115.22 23.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.074 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.483 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 12.3 mmt85 -70.06 150.63 46.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -145.56 134.62 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.831 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.455 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 15.2 t -95.07 24.46 4.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -157.51 119.34 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 94.8 p -50.44 -41.12 52.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.68 -51.97 47.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.0 m -50.21 -51.58 42.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.167 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 18.9 ttp -52.96 -63.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -46.41 -46.24 18.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.501 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 12.6 mmm -64.89 -28.14 69.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -76.52 -35.88 58.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.434 HG23 HD12 ' A' ' 20' ' ' ILE . 64.8 mt -73.9 -29.54 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.891 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -93.67 -7.86 42.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 33' ' ' MET . 27.3 mm-40 -101.44 -41.86 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -95.92 -32.27 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.547 ' O ' HG12 ' A' ' 43' ' ' VAL . 61.6 m-70 -117.3 44.25 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 t -62.48 -35.07 78.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -94.99 -26.58 16.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -82.62 44.72 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 39' ' ' HIS . 4.9 p -164.33 138.28 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.25 -70.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 43' ' ' VAL . 34.1 mmtm -85.55 160.73 19.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -119.72 161.36 20.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -136.58 129.88 31.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.4 t -58.96 129.52 85.83 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 6.59 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.338 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.495 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 43.2 m-70 -122.98 -71.74 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.1 p -103.94 -179.56 3.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.27 84.29 5.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.5 m -136.2 110.07 8.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.1 129.56 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.8 mm -119.59 143.83 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.54 -73.21 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -73.22 123.38 23.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -55.41 -55.13 35.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.5 m -46.11 -36.53 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' LEU . 72.6 m-20 -68.67 -40.13 80.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 60' ' ' ASP . 66.8 tp -37.45 -47.76 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.14 -50.76 57.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.526 HG12 ' HG3' ' A' ' 67' ' ' LYS . 97.0 t -52.05 -39.44 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 51.1 t60 -71.76 -31.58 66.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 mt -71.76 -33.18 68.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -90.05 -35.92 15.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.526 ' HG3' HG12 ' A' ' 63' ' ' VAL . 6.3 mmpt? -68.42 -53.03 26.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.564 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 37.1 mm-40 -81.02 -50.28 9.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 50' ' ' HIS . 30.2 m-70 -106.05 167.5 9.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.9 m -87.95 115.75 25.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -148.36 142.57 26.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.3 m -115.14 142.23 46.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -47.86 165.12 0.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 103.42 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.741 2.294 . . . . 0.0 112.364 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -92.79 99.44 12.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.8 t -85.6 122.16 29.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.478 -179.974 . . . . . . . . 0 0 . 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 1.452 -0.293 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m -152.89 163.06 40.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -93.99 -50.21 5.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.67 119.97 1.67 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 p -120.13 123.27 42.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 p -158.76 152.51 23.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.46 52.11 0.4 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -76.98 155.43 32.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.0 m -134.94 138.82 44.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.443 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 40.5 t60 -117.71 83.53 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.1 p -119.39 158.77 25.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.55 -172.2 20.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -125.22 -49.86 1.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.878 0.37 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 47.9 mttt -145.76 105.04 4.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.0 Cg_endo -69.74 3.94 2.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 60.1 m-85 -132.15 155.91 47.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -162.64 145.3 10.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.6 t -79.38 124.22 28.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -81.49 16.7 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.657 HD12 HG23 ' A' ' 35' ' ' ILE . 76.3 mt -114.8 -52.82 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 p -109.94 -8.03 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 72.5 30.23 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.588 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -86.91 108.89 18.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -61.57 153.58 27.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 92.5 m-85 -148.2 136.59 21.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 t -94.06 8.11 42.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -140.73 121.94 14.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 90.2 p -56.35 -34.17 66.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.0 -51.19 29.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.7 m -53.34 -49.92 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 111.177 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.442 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 17.6 ttp -54.57 -60.58 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -49.86 -38.0 33.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.498 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 12.6 mtm -74.34 -27.1 60.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -73.76 -39.76 63.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.657 HG23 HD12 ' A' ' 20' ' ' ILE . 50.8 mt -70.61 -26.99 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.698 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -94.93 -8.08 38.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 33' ' ' MET . 51.4 mt-30 -99.98 -41.77 7.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.97 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -98.47 -34.91 10.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.515 ' O ' HG12 ' A' ' 43' ' ' VAL . 59.5 m-70 -113.5 46.39 1.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 t -65.52 -34.72 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -97.52 -24.59 15.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -81.74 39.84 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 39' ' ' HIS . 3.4 p -158.57 146.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.93 -57.51 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -87.7 136.57 32.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 58' ' ' LYS . 80.9 m-85 -104.36 141.52 36.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -123.5 136.7 54.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.5 t -65.75 129.23 94.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 2.54 3.45 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.539 ' CD2' ' CD2' ' A' ' 65' ' ' LEU . 36.0 m-70 -116.47 -72.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.3 p -102.94 177.23 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -90.56 76.65 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.6 m -128.7 124.98 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.28 136.45 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.526 HG13 HD12 ' A' ' 61' ' ' LEU . 23.1 mm -122.84 125.16 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.64 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.28 170.79 8.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 3.6 ttmm -63.53 -56.26 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.4 t -42.11 -36.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.12 -36.57 64.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.526 HD12 HG13 ' A' ' 55' ' ' ILE . 14.2 tp -43.04 -60.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -39.32 -58.46 2.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.1 t -42.52 -43.62 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -71.09 -39.19 72.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.539 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 28.2 mt -66.67 -28.04 68.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -89.93 -36.56 14.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -73.13 -71.76 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -61.4 -46.97 87.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -107.62 -175.86 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.545 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 39.8 t -109.61 130.61 55.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 70' ' ' SER . 10.7 m-85 -151.84 122.61 7.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 99.2 p -151.51 153.58 34.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.88 162.52 28.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 94.1 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.372 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.6 m -115.73 80.75 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 t -115.81 85.45 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.508 179.998 . . . . . . . . 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 -0.303 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m 64.69 43.77 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.371 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 m -128.39 169.35 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.26 -100.98 0.33 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.536 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m 57.3 44.58 21.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.872 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.8 p -52.14 140.4 21.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.69 151.56 6.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.1 mtt85 -132.59 170.32 15.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.918 0.39 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.9 p -122.58 117.05 24.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -93.73 81.75 4.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -114.77 -52.24 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.77 89.93 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -105.5 -41.29 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 110.93 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' N ' ' HG2' ' A' ' 13' ' ' GLU . 71.0 mttt -148.1 105.6 3.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -0.38 6.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.377 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 67.7 m-85 -128.11 150.62 49.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -160.48 142.8 12.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.9 t -76.29 123.28 25.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -82.65 18.42 1.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.613 HD12 HG23 ' A' ' 35' ' ' ILE . 79.1 mt -113.41 -49.15 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 30.2 p -117.16 -5.72 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.2 m80 73.81 30.15 1.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -85.56 107.13 17.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 20.5 mmt180 -63.22 156.07 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.525 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 83.2 m-85 -147.53 131.14 16.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.405 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -72.87 -16.23 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -131.32 167.07 19.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 76.4 p -86.69 -49.76 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -50.57 -45.08 47.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -61.25 -47.87 84.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 111.108 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.525 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 40.2 ttp -59.87 -55.46 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -50.18 -45.85 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.49 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -65.25 -33.01 74.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -68.96 -37.82 79.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.613 HG23 HD12 ' A' ' 20' ' ' ILE . 47.3 mt -72.58 -31.77 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -92.08 -8.15 46.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 33' ' ' MET . 12.5 mm100 -101.71 -41.48 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -95.96 -33.23 12.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.551 ' ND1' HG21 ' A' ' 20' ' ' ILE . 61.5 m-70 -117.45 44.29 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 t -60.23 -37.94 81.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -98.74 -24.63 14.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -81.47 41.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 44' ' ' ALA . 4.9 p -151.91 152.95 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.422 ' N ' HG22 ' A' ' 43' ' ' VAL . . . -92.29 -68.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HD3' HG21 ' A' ' 54' ' ' VAL . 37.2 mttm -92.45 140.25 29.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -106.1 102.06 11.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -83.42 116.34 22.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -44.87 136.32 4.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 5.25 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.518 ' CE1' ' HH ' ' A' ' 71' ' ' TYR . 48.1 m-70 -124.29 -65.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.9 p -106.99 -177.38 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.55 82.22 3.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.4 m -142.64 115.72 8.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.55 HG21 ' HD3' ' A' ' 45' ' ' LYS . 81.9 t -64.08 141.0 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 57' ' ' ARG . 38.1 mm -125.77 80.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -36.79 -72.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.59 ' O ' HG22 ' A' ' 55' ' ' ILE . 36.6 ttp85 -72.03 130.75 41.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -57.77 -66.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.5 t -39.68 -55.77 1.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -38.48 -40.12 0.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.428 ' CA ' HG21 ' A' ' 55' ' ' ILE . 65.7 tp -38.15 -49.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.04 -56.06 25.01 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.1 t -47.12 -44.83 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -67.78 -26.32 66.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.433 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 35.1 mt -78.14 -26.38 47.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -91.37 -32.65 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -77.0 -70.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -60.24 -45.95 91.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -109.19 -179.93 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.3 m -101.25 103.78 14.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.518 ' HH ' ' CE1' ' A' ' 50' ' ' HIS . 4.7 m-85 -132.13 41.33 3.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.0 t -117.17 41.83 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.28 113.05 5.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.03 41.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.4 m -75.24 107.23 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 t 52.06 42.64 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.815 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.507 179.998 . . . . . . . . 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 1.452 -0.267 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -75.33 157.8 33.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -95.73 135.49 37.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.827 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.41 -98.61 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 m -157.74 126.4 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -88.86 87.88 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.81 135.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.448 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.0 ptt-85 -69.92 140.08 53.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.6 m -76.48 136.88 39.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -127.46 115.14 18.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.2 m -122.77 169.33 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 13' ' ' GLU . . . 169.97 -133.34 2.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' GLY . 12.8 pt-20 -35.21 141.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.876 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 54.7 mttp -132.39 96.63 18.9 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.557 0.694 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.6 Cg_endo -69.77 4.86 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.374 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 73.7 m-85 -129.99 151.57 50.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 28.2 tt0 -163.59 148.71 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.427 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 43.6 t -78.95 126.96 31.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -84.43 14.57 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.635 HD12 HG23 ' A' ' 35' ' ' ILE . 90.4 mt -111.81 -52.4 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.2 p -109.3 -3.05 17.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 66.21 36.3 5.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.594 ' O ' ' CE2' ' A' ' 25' ' ' PHE . . . -94.85 107.97 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -60.08 161.05 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 23' ' ' ALA . 88.8 m-85 -153.22 126.48 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 t -71.45 -15.96 62.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -123.11 154.5 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 54.1 p -78.1 -53.77 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.45 -50.99 28.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.4 m -52.27 -50.2 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.731 0.3 . . . . 0.0 111.121 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.4 ttp -58.1 -62.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.453 ' CD ' ' O ' ' A' ' 28' ' ' SER . 0.4 OUTLIER -47.35 -47.41 25.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.429 ' HG3' ' CB ' ' A' ' 49' ' ' PRO . 32.1 mtm -63.44 -40.75 97.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -59.36 -38.63 80.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.635 HG23 HD12 ' A' ' 20' ' ' ILE . 32.5 mt -69.57 -32.68 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -91.88 -8.13 47.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -98.37 -38.85 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -101.94 -34.98 9.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.543 ' CE1' HG21 ' A' ' 20' ' ' ILE . 58.6 m-70 -114.0 50.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 t -69.69 -33.89 73.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.87 -32.8 12.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -75.45 50.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.4 p -170.28 144.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.15 -66.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -95.65 151.38 19.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -108.0 160.39 15.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -136.23 121.44 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.9 t -47.08 130.13 9.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.717 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.434 ' HA ' ' CB ' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.78 8.63 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 44.2 m-70 -124.2 -70.95 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.7 p -104.64 174.09 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -83.23 81.47 8.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.4 m -131.84 114.49 14.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 99.8 t -72.37 126.98 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.3 mm -119.59 143.55 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.61 -75.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -68.49 112.88 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -46.37 -46.95 18.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 t -52.59 -39.23 61.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.39 -39.04 88.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.0 tp -38.76 -42.43 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.85 -48.12 83.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.688 HG12 ' HD3' ' A' ' 67' ' ' LYS . 58.2 t -52.37 -43.05 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 111.109 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.557 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 59.5 t60 -68.81 -32.19 71.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.429 HD22 ' CE1' ' A' ' 71' ' ' TYR . 22.3 mt -73.18 -33.49 65.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -82.62 -35.88 26.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.688 ' HD3' HG12 ' A' ' 63' ' ' VAL . 3.2 mtpm? -72.73 -70.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.557 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 10.2 mm100 -62.46 -48.18 80.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 50' ' ' HIS . 28.5 m-70 -109.67 -176.24 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.4 t -110.84 102.43 10.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.429 ' CE1' HD22 ' A' ' 65' ' ' LEU . 5.9 m-85 -129.19 39.96 3.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.6 p -107.38 147.04 30.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.75 129.95 4.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -8.14 22.85 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.349 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.6 p -87.37 161.6 17.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.6 p -173.43 117.71 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.464 179.954 . . . . . . . . 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 -0.333 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -139.71 106.94 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -141.84 116.4 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.76 172.25 43.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -144.31 168.5 19.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.905 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -142.86 160.42 40.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.73 42.39 1.4 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -144.69 142.89 30.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.3 p -136.54 119.61 16.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -72.96 109.9 6.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.4 p -155.46 154.77 32.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.17 169.13 20.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.425 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 15.8 tp10 -84.31 33.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.946 0.403 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HD2' ' C ' ' A' ' 13' ' ' GLU . 1.6 mptt -156.22 107.88 2.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.565 0.698 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 0.64 5.4 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 63.3 m-85 -129.33 158.55 38.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -164.05 138.5 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 t -72.68 122.96 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -81.79 21.15 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.672 ' CD1' HG23 ' A' ' 35' ' ' ILE . 64.7 mt -117.93 -53.4 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 29.1 p -111.52 -0.21 16.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.3 m80 67.9 31.19 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.507 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -85.56 112.94 21.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -70.41 144.16 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.456 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 91.4 m-85 -138.87 129.8 26.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.674 HG23 ' HG2' ' A' ' 27' ' ' GLN . 9.0 t -73.98 -18.14 60.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.153 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.674 ' HG2' HG23 ' A' ' 26' ' ' THR . 21.4 mm100 -127.37 146.7 50.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 97.4 p -67.71 -50.66 56.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.808 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.61 -55.53 10.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.9 m -50.46 -50.37 52.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.456 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 37.5 ttp -58.27 -61.92 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -44.84 -47.4 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.404 ' HG3' ' CB ' ' A' ' 49' ' ' PRO . 11.5 mtm -63.63 -37.21 86.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -63.07 -40.55 98.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.672 HG23 ' CD1' ' A' ' 20' ' ' ILE . 45.6 mt -68.02 -29.35 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.872 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -94.74 -8.08 38.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -99.83 -39.55 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -100.62 -34.14 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.899 ' O ' HG12 ' A' ' 43' ' ' VAL . 46.6 m-70 -114.52 41.4 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 t -56.87 -42.5 79.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 16.2 pt-20 -93.89 -49.01 6.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 6.5 m120 -40.78 -38.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.899 HG12 ' O ' ' A' ' 39' ' ' HIS . 7.3 p -80.07 149.74 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.78 -58.82 2.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -97.86 132.71 43.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.402 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 2.9 m-85 -92.08 161.54 14.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' CYS . 8.7 m-70 -150.65 116.91 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' HIS . 44.6 t -35.86 133.82 0.54 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.404 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.7 Cg_endo -69.79 5.39 1.73 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.574 ' CE1' ' HH ' ' A' ' 71' ' ' TYR . 41.5 m-70 -125.3 -68.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.0 p -99.59 176.08 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 16.7 p-10 -91.58 91.2 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.3 m -141.59 124.51 16.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.67 126.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.685 HG22 ' O ' ' A' ' 57' ' ' ARG . 51.5 mm -118.42 77.22 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -28.07 -74.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.685 ' O ' HG22 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -90.01 145.71 24.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 61' ' ' LEU . 12.0 tptp -55.54 -56.62 18.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 58' ' ' LYS . 4.2 m -36.74 -55.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -44.69 -42.95 8.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.47 ' N ' HG21 ' A' ' 55' ' ' ILE . 45.7 tp -36.93 -49.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.5 -54.06 39.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.697 HG12 ' HD3' ' A' ' 67' ' ' LYS . 94.6 t -48.37 -40.84 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.493 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 59.1 t60 -69.66 -38.07 76.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.25 -37.7 81.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -77.44 -36.79 52.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.697 ' HD3' HG12 ' A' ' 63' ' ' VAL . 3.6 mtpm? -73.36 -73.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.493 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 15.6 mm-40 -57.72 -49.41 76.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -107.81 -176.91 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 t -112.38 87.62 2.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.574 ' HH ' ' CE1' ' A' ' 50' ' ' HIS . 6.4 m-85 -124.82 65.4 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 t -159.49 158.91 32.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -122.14 173.03 15.77 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 167.4 24.58 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.8 p -97.57 171.97 8.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.6 t -74.87 -47.24 31.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.52 -179.988 . . . . . . . . 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 -0.333 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -139.95 176.56 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 110.836 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -116.13 126.42 53.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.822 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.31 176.09 24.27 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -62.01 156.56 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.366 . . . . 0.0 110.892 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -125.24 153.62 42.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.29 -125.4 1.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -117.27 158.87 23.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 11' ' ' SER . 91.2 m -119.51 136.72 54.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 10' ' ' HIS . 86.4 t60 -103.22 42.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.423 ' H ' HG22 ' A' ' 9' ' ' THR . 5.6 t -36.34 138.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.94 -78.28 0.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' C ' ' HG3' ' A' ' 14' ' ' LYS . 35.3 tt0 -53.01 117.46 3.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.938 0.399 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.435 ' HG3' ' C ' ' A' ' 13' ' ' GLU . 71.3 mttt -154.61 105.02 2.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.4 Cg_endo -69.76 3.36 2.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 62.0 m-85 -132.11 159.17 39.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 14.4 tt0 -169.79 144.69 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 20.0 t -77.32 127.17 32.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -84.65 12.65 6.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.61 HG21 ' CE1' ' A' ' 39' ' ' HIS . 92.5 mt -109.92 -51.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.17 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.7 p -108.19 -12.6 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.4 m80 74.94 38.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.588 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -97.99 108.15 20.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 13.9 mmt180 -59.49 154.6 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 89.6 m-85 -148.1 135.75 20.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.8 t -96.81 19.48 12.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -152.23 110.78 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 88.7 p -45.39 -39.49 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.9 -52.98 40.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.3 m -50.83 -53.35 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.753 0.311 . . . . 0.0 111.119 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.403 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.3 ttp -53.28 -61.02 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -47.01 -44.52 20.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 21.9 mtm -68.34 -33.23 73.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -70.15 -37.97 75.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.1 mt -72.56 -30.06 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.759 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -93.7 -8.18 41.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 33' ' ' MET . 24.7 mm-40 -101.71 -37.54 8.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -98.62 -32.31 11.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.61 ' CE1' HG21 ' A' ' 20' ' ' ILE . 61.9 m-70 -118.77 50.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 t -71.13 -23.78 62.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -97.44 -29.98 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -79.54 43.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 39' ' ' HIS . 2.7 p -168.32 138.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.48 -54.65 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -85.27 131.31 34.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' A' ' 58' ' ' LYS . 83.3 m-85 -102.21 152.82 20.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -138.22 138.98 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.428 ' C ' ' H ' ' A' ' 50' ' ' HIS . 35.4 t -66.51 126.62 92.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.489 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.76 13.13 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.342 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.428 ' H ' ' C ' ' A' ' 48' ' ' CYS . 42.1 m-70 -126.17 -72.64 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.6 p -104.4 159.35 15.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.17 82.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -133.01 135.24 45.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -83.47 140.49 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.179 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 57' ' ' ARG . 45.1 mm -128.66 121.55 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.86 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' O ' HG22 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -120.59 173.6 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' LEU . 18.9 tptp -60.86 -60.66 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -38.27 -39.08 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 61' ' ' LEU . 6.3 t0 -68.21 -44.39 75.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' LYS . 54.1 tp -35.68 -50.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -50.33 -59.08 8.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.532 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -44.25 -41.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.408 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 54.6 t60 -69.43 -32.4 71.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.2 -35.37 71.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -84.38 -33.48 23.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -73.39 -63.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.408 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 20.5 mm100 -69.63 -47.74 62.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -110.43 -178.19 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 m -113.23 107.21 15.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -142.07 167.48 22.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 73' ' ' GLY . 54.1 p -168.84 178.14 4.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 72' ' ' SER . . . -35.39 121.9 0.55 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.533 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 112.4 3.07 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.662 2.242 . . . . 0.0 112.31 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.0 t -103.38 159.77 15.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.0 p -39.56 -48.2 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.829 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.456 -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 1.451 -0.33 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 p -82.43 149.82 27.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.844 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 m -133.44 126.45 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.53 48.7 0.82 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 p -77.06 158.68 30.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.876 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -69.8 -56.71 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.29 132.34 3.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -79.53 147.37 32.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.8 p -132.66 131.63 41.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -77.65 148.83 34.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -154.55 114.59 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.89 72.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' A' ' 14' ' ' LYS . 1.6 pm0 -99.24 -38.59 8.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 66.6 mttt -145.28 108.67 4.55 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.2 Cg_endo -69.74 1.84 4.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 70.9 m-85 -132.27 153.5 50.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -161.91 141.12 9.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.6 t -74.64 123.33 24.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -82.4 20.02 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.702 ' CD1' HG23 ' A' ' 35' ' ' ILE . 64.2 mt -116.06 -52.46 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 31.1 p -113.21 -2.12 14.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 71.51 27.36 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.502 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -82.38 109.4 16.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.493 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 14.9 mmt180 -68.05 149.24 49.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CD1' HG22 ' A' ' 30' ' ' THR . 80.1 m-85 -139.3 137.58 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.471 HG23 ' HG3' ' A' ' 27' ' ' GLN . 2.9 t -78.23 -16.42 57.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.471 ' HG3' HG23 ' A' ' 26' ' ' THR . 46.4 mt-30 -131.55 162.89 29.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 51.5 p -82.15 -42.6 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.61 -45.1 95.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.616 HG22 ' CD1' ' A' ' 25' ' ' PHE . 73.1 m -60.22 -45.07 94.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.546 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.1 ttp -60.57 -57.52 12.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -51.07 -45.21 61.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 27.8 mmm -64.02 -24.4 67.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.885 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -80.14 -40.38 27.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.702 HG23 ' CD1' ' A' ' 20' ' ' ILE . 58.5 mt -70.49 -26.44 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.749 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -95.48 -8.4 35.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 33' ' ' MET . 20.5 mm-40 -101.99 -40.95 6.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -98.42 -33.85 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.86 ' O ' HG12 ' A' ' 43' ' ' VAL . 60.4 m-70 -115.96 44.86 1.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.4 t -63.26 -30.81 71.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 11.4 pt-20 -91.11 -49.19 6.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 4.8 t-20 -46.45 -44.91 17.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.86 HG12 ' O ' ' A' ' 39' ' ' HIS . 3.3 p -70.23 147.03 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.8 -53.44 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.598 ' HE3' HG11 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -99.96 138.0 37.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.422 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 2.1 m-85 -99.95 134.35 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -124.61 125.28 43.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 50' ' ' HIS . 37.6 t -50.53 127.56 24.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.606 0.717 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 11.5 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.421 ' H ' ' C ' ' A' ' 48' ' ' CYS . 41.3 m-70 -124.91 -71.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.2 p -106.55 176.29 5.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -81.91 81.98 7.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.4 m -135.08 124.65 25.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.598 HG11 ' HE3' ' A' ' 45' ' ' LYS . 88.5 t -85.62 140.32 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' A' ' 46' ' ' PHE . 26.5 mm -127.38 143.46 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.81 -73.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 60' ' ' ASP . 7.4 tpm_? -77.34 108.53 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 57' ' ' ARG . 17.7 tptm -33.26 -44.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -55.21 -48.52 73.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 57' ' ' ARG . 47.9 m-20 -47.67 -40.62 20.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' ASP . 67.9 tp -37.49 -43.36 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.26 -50.17 70.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.756 HG12 ' HD3' ' A' ' 67' ' ' LYS . 57.4 t -52.36 -42.74 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -68.75 -29.82 68.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.2 mt -77.5 -31.9 53.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -84.29 -33.67 23.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.756 ' HD3' HG12 ' A' ' 63' ' ' VAL . 8.6 mtpp -76.58 -71.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -61.53 -48.22 82.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.971 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -107.62 -178.74 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.7 m -121.32 101.92 7.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -128.45 98.94 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 99.7 p -168.96 140.32 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.819 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -158.99 -116.63 0.46 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 84.66 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.7 p -172.46 133.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.8 t -100.84 129.36 46.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.475 -179.995 . . . . . . . . 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 -0.346 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 p -128.87 114.62 16.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 p -162.54 174.7 12.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.35 151.87 10.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 m -147.74 155.41 41.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -96.18 -55.08 3.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.07 45.84 2.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -87.53 99.18 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 78.6 m -143.77 139.56 29.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -164.52 139.09 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -155.09 136.27 13.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.2 164.68 12.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.43 ' C ' ' HG2' ' A' ' 14' ' ' LYS . 11.3 pt-20 -106.52 24.16 13.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.958 0.409 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HG2' ' C ' ' A' ' 13' ' ' GLU . 16.7 mmtp -146.32 117.63 4.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -2.45 10.2 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 92.8 m-85 -141.79 157.88 44.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -169.3 137.82 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.8 t -71.19 125.68 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -85.83 16.72 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.533 HD12 HG23 ' A' ' 35' ' ' ILE . 83.9 mt -112.32 -48.02 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 26.3 p -117.65 -2.76 11.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 72.76 25.02 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.558 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -79.57 104.22 10.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 -62.44 159.54 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 85.1 m-85 -151.73 126.93 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 m -69.48 -20.26 63.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -124.2 173.86 8.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 97.5 p -90.69 -52.71 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.8 -49.02 35.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.403 HG22 ' CE1' ' A' ' 25' ' ' PHE . 37.7 m -53.67 -48.91 69.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 111.154 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.541 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 22.5 ttp -57.5 -62.0 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -45.8 -49.81 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 9.9 mmm -58.98 -32.61 69.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -72.67 -39.39 67.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.533 HG23 HD12 ' A' ' 20' ' ' ILE . 50.0 mt -71.42 -28.97 33.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.566 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.1 pp -93.72 -8.24 41.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 33' ' ' MET . 40.3 mm-40 -102.03 -40.03 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -98.08 -33.42 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.524 ' CE1' HG21 ' A' ' 20' ' ' ILE . 62.5 m-70 -116.4 43.61 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 t -61.72 -30.63 70.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -96.0 -37.81 10.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -75.45 56.14 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -171.22 147.92 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.97 -73.57 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -89.86 151.08 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -108.06 161.12 15.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -134.06 125.73 28.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.0 t -54.63 136.76 63.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.586 0.708 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 7.42 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.454 ' CD2' HD21 ' A' ' 65' ' ' LEU . 55.1 m-70 -129.48 -73.53 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.1 p -97.06 -178.97 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.99 75.05 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.1 m -124.47 117.87 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.5 133.78 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.808 HG22 ' O ' ' A' ' 57' ' ' ARG . 41.2 mm -125.48 75.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -32.53 -67.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.069 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.808 ' O ' HG22 ' A' ' 55' ' ' ILE . 9.8 tpp180 -79.82 142.15 35.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -64.35 -61.49 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 t -45.78 -42.87 12.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -49.28 -41.09 36.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.565 ' CA ' HG21 ' A' ' 55' ' ' ILE . 45.7 tp -38.5 -47.09 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -55.02 -61.91 6.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.439 HG12 ' HD3' ' A' ' 67' ' ' LYS . 64.8 t -41.63 -52.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 111.134 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.527 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 57.1 t60 -57.1 -33.13 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.559 HD22 ' CZ ' ' A' ' 71' ' ' TYR . 13.1 mt -75.23 -24.24 57.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -88.08 -35.03 17.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HD3' HG12 ' A' ' 63' ' ' VAL . 13.8 mtpt -79.19 -71.37 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.527 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 8.3 mm-40 -56.56 -47.56 79.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -108.72 170.17 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -95.27 111.94 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.559 ' CZ ' HD22 ' A' ' 65' ' ' LEU . 5.0 m-85 -132.83 -38.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -86.46 178.01 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.32 -170.41 47.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.444 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -37.01 9.71 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t 55.82 42.08 29.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.2 t -137.05 130.78 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.478 -179.991 . . . . . . . . 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 1.451 -0.322 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -151.46 173.23 14.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -150.25 178.31 9.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.88 119.98 0.94 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -152.96 151.81 30.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 m -124.91 143.5 50.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.41 78.29 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -136.97 141.31 42.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.921 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.3 p -136.55 136.55 39.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -74.3 121.5 21.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.6 t -113.02 40.97 2.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.52 151.08 2.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -99.41 113.9 26.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.391 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 26' ' ' THR . 69.3 mttt -150.96 105.01 3.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.561 0.696 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.6 Cg_endo -69.78 1.21 4.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.317 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -127.95 155.8 43.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 44.3 tt0 -160.71 152.82 20.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 37.6 t -88.0 125.27 34.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -83.45 20.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.573 ' CD1' HG23 ' A' ' 35' ' ' ILE . 77.2 mt -116.17 -52.45 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.166 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.2 p -112.95 -8.01 13.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.0 m80 74.48 35.57 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.452 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -93.44 110.72 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.441 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 15.3 mmt85 -64.44 157.34 26.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.523 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 84.1 m-85 -147.68 126.09 12.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.51 HG23 ' HG3' ' A' ' 27' ' ' GLN . 4.1 t -68.12 -19.72 64.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.51 ' HG3' HG23 ' A' ' 26' ' ' THR . 77.5 mt-30 -125.07 160.59 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 p -80.98 -45.52 16.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.71 -51.95 51.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 25' ' ' PHE . 95.4 m -51.49 -45.61 62.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.333 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.523 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 28.3 ttp -59.14 -62.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -46.13 -48.03 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.496 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 10.6 mmm -61.61 -34.71 76.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.449 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 40.5 t60 -68.89 -36.71 78.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.573 HG23 ' CD1' ' A' ' 20' ' ' ILE . 53.3 mt -73.44 -31.18 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.496 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 1.4 pp -93.0 -10.78 35.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' MET . 29.9 mm-40 -100.26 -40.81 7.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 29.4 mmtt -95.66 -33.37 12.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.458 ' O ' HG12 ' A' ' 43' ' ' VAL . 63.3 m-70 -118.01 47.29 1.6 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.1 t -63.65 -40.58 97.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -90.82 -27.5 18.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -80.14 42.61 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 39' ' ' HIS . 6.5 p -161.9 144.83 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.36 -70.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -87.6 141.88 28.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -104.82 144.64 31.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -122.49 113.44 19.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.2 t -42.12 135.56 2.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -17.1 37.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -101.72 -64.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.8 p -101.81 -174.26 2.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' THR . 2.3 p30 -86.89 -18.68 30.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' ASP . 92.1 m -32.45 122.26 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.139 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.1 t -84.88 136.73 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.2 mm -119.45 138.77 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.49 -76.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -98.17 150.58 21.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 61' ' ' LEU . 8.6 tptm -57.36 -56.59 19.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 t -38.26 -34.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 61' ' ' LEU . 14.1 t70 -70.97 -42.81 69.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 58' ' ' LYS . 47.8 tp -35.5 -38.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.19 -59.34 8.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.0 t -46.0 -39.04 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.111 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -72.94 -32.63 65.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt -72.89 -27.51 61.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -93.81 -33.38 13.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -76.07 -71.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -62.13 -49.96 73.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -99.26 167.28 10.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -89.47 97.86 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -134.87 26.64 3.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -98.59 -46.66 5.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.09 139.62 3.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 5.2 1.79 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.8 m 63.32 38.9 9.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.7 t -71.82 107.52 4.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.477 -179.993 . . . . . . . . 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 -0.31 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -101.26 166.67 10.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.845 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 t -140.77 161.01 38.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.03 127.7 3.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 m -155.9 166.35 33.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 m -138.25 134.94 35.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.86 -137.18 3.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.433 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -137.12 113.76 10.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t -121.36 128.5 52.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.8 t60 63.79 47.37 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -133.0 132.65 42.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.56 89.04 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -148.37 105.75 3.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.942 0.401 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.49 ' CD ' ' HB3' ' A' ' 24' ' ' ARG . 37.0 mttp -151.01 108.23 3.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.548 0.689 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.26 6.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 69.0 m-85 -129.31 156.41 44.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 19.7 tt0 -164.93 149.41 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 28.9 t -80.35 127.5 32.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -81.68 19.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.568 HD12 ' CD2' ' A' ' 39' ' ' HIS . 61.1 mt -122.1 -57.06 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.603 ' C ' ' CG ' ' A' ' 22' ' ' HIS . 29.0 p -106.92 12.16 29.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.603 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 1.1 p80 50.22 33.14 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.603 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -86.6 103.57 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' HB3' ' CD ' ' A' ' 14' ' ' LYS . 4.7 mmm180 -58.58 156.18 11.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.603 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 85.5 m-85 -149.48 134.37 17.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -90.42 -0.74 57.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -130.27 125.25 34.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.572 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 68.5 p -58.53 -35.2 71.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.02 -44.3 55.33 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.6 m -56.0 -51.39 67.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.718 0.295 . . . . 0.0 111.119 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.4 ttp -53.44 -60.11 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -53.04 -37.16 61.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.6 mtm -76.59 -16.89 59.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.518 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 49.1 t60 -84.73 -45.55 12.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.66 -25.67 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.936 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -94.89 -7.97 38.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.877 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.417 ' C ' ' HE2' ' A' ' 38' ' ' LYS . 7.1 mm100 -99.67 -42.91 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.518 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 10.4 mmpt? -95.06 -35.36 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.743 ' O ' HG12 ' A' ' 43' ' ' VAL . 54.2 m-70 -114.96 42.11 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 t -54.75 -38.94 67.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 12.6 pt-20 -99.86 -48.62 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.459 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 5.3 m-80 -38.4 -40.13 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 39' ' ' HIS . 7.2 p -75.65 152.21 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.84 -59.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -94.7 128.66 41.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -90.86 159.24 16.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -151.24 118.05 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.1 t -38.52 132.98 1.02 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 1.66 4.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -118.37 -67.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.3 p -103.37 -176.35 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.88 91.19 5.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 m -142.25 117.45 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.07 128.91 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.543 HG22 ' O ' ' A' ' 57' ' ' ARG . 51.6 mm -118.78 76.91 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.525 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -26.84 -72.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.543 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.8 ptm180 -98.47 140.59 32.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 61' ' ' LEU . 13.7 tttp -55.78 -51.25 68.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 94.4 p -40.41 -33.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.44 ' HB3' HG23 ' A' ' 55' ' ' ILE . 10.1 t0 -73.87 -38.29 64.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.493 ' CA ' HG21 ' A' ' 55' ' ' ILE . 35.1 tp -37.08 -50.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.02 -60.81 8.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.414 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 97.1 t -42.38 -40.11 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -71.78 -38.44 70.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.0 mt -67.09 -33.89 76.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -88.75 -30.83 18.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 19.3 mmmt -74.9 -65.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -66.73 -48.09 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -107.59 179.25 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.0 m -106.64 95.43 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -133.94 38.37 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.7 p -120.22 -18.31 8.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -116.61 114.88 3.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 75' ' ' SER . 53.7 Cg_endo -69.77 1.49 4.4 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 74' ' ' PRO . 85.7 p 36.07 41.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.0 t -108.05 143.15 37.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.51 -179.989 . . . . . . . . 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 1.452 -0.294 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -109.65 125.19 52.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 t -171.67 114.13 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.61 103.76 0.45 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 p -50.13 121.93 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.827 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -52.11 -49.72 63.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.27 111.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -138.21 106.6 5.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 t -137.84 126.64 23.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -162.0 132.4 4.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.7 p -77.96 47.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.38 56.12 0.43 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -59.99 120.86 10.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 25' ' ' PHE . 54.5 mttp -150.64 106.18 3.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.55 0.691 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.0 Cg_endo -69.74 -1.31 8.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.638 2.226 . . . . 0.0 112.39 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 59.5 m-85 -126.38 160.63 29.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -167.51 140.43 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.5 t -69.48 128.26 35.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -85.32 18.83 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.767 HD12 HG23 ' A' ' 35' ' ' ILE . 72.9 mt -115.71 -54.36 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -109.14 -3.34 17.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.3 m80 68.63 35.2 3.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.587 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -92.26 107.43 19.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 mmm-85 -58.41 157.33 8.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 80.2 m-85 -149.94 118.57 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 t -60.51 -18.3 51.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -129.58 157.86 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 79.7 p -80.68 -44.41 18.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.11 -46.24 79.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.441 HG22 ' CD1' ' A' ' 25' ' ' PHE . 77.7 m -58.87 -46.11 88.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.179 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.515 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 34.2 ttp -61.48 -56.49 19.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -47.63 -48.41 28.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.449 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 8.8 mtm -64.64 -31.48 72.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.436 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 42.1 t60 -68.89 -38.97 80.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.767 HG23 HD12 ' A' ' 20' ' ' ILE . 41.5 mt -71.27 -29.5 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.631 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -93.86 -9.0 38.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 33' ' ' MET . 10.0 mm100 -101.74 -39.84 7.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 31.4 mmtt -97.72 -32.64 11.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.517 ' CD2' HD12 ' A' ' 20' ' ' ILE . 62.0 m-70 -117.91 50.48 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.9 t -71.86 -33.58 68.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -86.24 -31.2 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -78.22 47.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.7 p -173.47 146.12 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.13 -57.63 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -80.66 135.1 35.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.59 ' CE1' ' HA ' ' A' ' 57' ' ' ARG . 60.8 m-85 -108.5 148.14 30.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -134.51 136.31 43.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.7 t -64.71 129.33 94.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 4.47 2.2 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -117.38 -72.59 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.4 p -99.01 171.04 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.99 77.92 8.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.2 m -129.65 150.63 50.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -95.53 139.84 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.609 HG21 ' CA ' ' A' ' 61' ' ' LEU . 26.9 mm -125.06 130.88 73.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.53 -74.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.59 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -134.7 179.97 5.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -49.64 -68.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.438 ' N ' ' HD3' ' A' ' 57' ' ' ARG . 1.4 t -40.98 -42.87 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.424 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 3.0 t70 -60.94 -43.37 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.609 ' CA ' HG21 ' A' ' 55' ' ' ILE . 54.2 tp -36.91 -54.37 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -47.08 -63.42 3.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 93.9 t -37.14 -47.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.92 0.39 . . . . 0.0 111.147 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.541 ' CG ' HD11 ' A' ' 55' ' ' ILE . 57.4 t60 -63.52 -38.81 92.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 62' ' ' GLY . 24.0 mt -67.12 -42.6 84.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 66' ' ' ARG . 6.7 mpt_? -76.03 -31.07 58.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -73.37 -76.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.06 -50.44 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -102.77 179.98 4.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 76.4 p -123.63 96.55 5.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -122.44 122.17 38.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.5 m -63.07 133.4 54.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -146.89 154.68 26.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -3.72 12.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.3 p -93.73 45.75 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.7 t -118.85 40.89 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.441 179.988 . . . . . . . . 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 -0.352 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -143.7 132.88 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 t -167.57 139.71 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.05 154.44 20.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.427 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -144.04 145.88 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -164.78 173.99 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.74 79.34 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -84.2 123.41 30.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.6 p -114.95 119.83 37.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -102.18 96.55 7.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.2 m -80.23 165.86 21.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.88 -136.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -156.57 116.75 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.9 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' C ' ' A' ' 25' ' ' PHE . 41.2 mttp -151.21 105.1 2.96 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.539 0.685 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 0.92 4.96 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.485 ' CE1' ' OG ' ' A' ' 28' ' ' SER . 65.5 m-85 -129.58 158.11 40.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -169.06 145.37 3.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.9 t -71.09 131.46 43.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -88.14 15.45 7.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.574 HD12 HG23 ' A' ' 35' ' ' ILE . 89.6 mt -112.74 -53.8 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.138 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 31.2 p -107.94 -7.88 16.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 m80 74.68 29.02 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.595 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -84.66 108.26 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -60.04 159.94 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 86.8 m-85 -153.41 122.86 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 t -65.27 -15.71 62.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -131.61 149.33 52.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.485 ' OG ' ' CE1' ' A' ' 16' ' ' TYR . 1.3 t -72.44 -37.14 68.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.17 -50.87 59.48 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.412 HG22 ' CD1' ' A' ' 25' ' ' PHE . 98.1 m -53.44 -41.87 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 111.15 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.49 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 15.3 ttp -67.04 -53.17 33.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 49' ' ' PRO . 16.6 mtmt -48.4 -45.11 35.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.419 ' SD ' ' CB ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -66.55 -39.8 88.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -59.86 -38.11 81.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.574 HG23 HD12 ' A' ' 20' ' ' ILE . 40.6 mt -70.5 -32.36 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.755 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -92.59 -8.01 45.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -99.44 -42.67 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -96.68 -35.31 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.407 ' CD2' HD12 ' A' ' 20' ' ' ILE . 59.5 m-70 -113.76 50.34 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 t -70.52 -30.81 67.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -102.9 -28.02 12.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -76.2 47.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -167.08 148.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.14 -60.39 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HB2' HG13 ' A' ' 54' ' ' VAL . 2.9 ptmm? -89.08 133.0 34.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 57' ' ' ARG . 30.6 m-85 -101.06 107.75 19.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.647 ' NE2' HG22 ' A' ' 54' ' ' VAL . 2.8 m170 -88.68 131.82 34.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.7 t -61.68 137.54 95.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.419 ' CB ' ' SD ' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.71 -32.22 19.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.543 ' NE2' ' CD2' ' A' ' 65' ' ' LEU . 7.8 m-70 -79.44 -67.1 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.74 172.33 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.33 79.79 5.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.6 m -130.98 131.88 44.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.647 HG22 ' NE2' ' A' ' 47' ' ' HIS . 62.6 t -78.39 136.01 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.571 HG21 ' CA ' ' A' ' 61' ' ' LEU . 14.2 mm -126.57 125.27 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -37.65 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HA ' ' CD1' ' A' ' 46' ' ' PHE . 5.2 ptp85 -133.74 179.63 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' HE2' HD13 ' A' ' 36' ' ' LEU . 23.2 tptp -53.88 -62.01 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.9 p -42.4 -35.42 1.02 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.98 -38.12 66.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.571 ' CA ' HG21 ' A' ' 55' ' ' ILE . 53.9 tp -45.7 -61.34 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -37.68 -63.56 0.84 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.44 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.1 t -39.86 -45.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 111.103 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -66.6 -33.35 75.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.803 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.543 ' CD2' ' NE2' ' A' ' 50' ' ' HIS . 19.1 mt -70.3 -41.88 72.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -76.59 -32.3 58.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -75.85 -75.17 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -57.79 -49.25 77.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.972 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -105.94 178.24 4.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 90.0 p -115.95 100.56 8.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -134.87 88.33 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 m -172.27 177.35 3.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.98 -116.73 0.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -175.9 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.359 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.8 m -103.52 151.85 22.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.6 t -120.36 149.08 42.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.493 -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 1.451 -0.329 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -139.98 137.95 35.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -158.8 127.63 5.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.77 50.77 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -165.21 141.65 5.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' GLY . 37.3 t -174.86 159.66 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.93 144.13 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.1 ttm-85 -153.97 134.79 13.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.3 p -50.08 151.21 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -87.64 105.94 17.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.4 m -122.79 172.98 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.94 176.56 26.02 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.425 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 1.6 pm0 -101.93 88.1 3.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.889 0.376 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HD2' ' C ' ' A' ' 13' ' ' GLU . 4.5 mptt -150.43 105.83 3.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.593 0.711 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.65 3.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.362 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -134.15 156.9 47.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -160.8 147.86 15.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.1 t -79.37 125.56 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -82.73 18.87 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.6 HD12 ' CD2' ' A' ' 39' ' ' HIS . 75.0 mt -116.53 -51.58 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 30.5 p -114.57 3.75 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 63.88 30.39 14.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.502 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -82.56 114.89 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -73.17 143.07 47.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 90.1 m-85 -137.03 130.77 31.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.765 HG23 ' HG3' ' A' ' 27' ' ' GLN . 7.8 t -71.54 -21.55 61.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.765 ' HG3' HG23 ' A' ' 26' ' ' THR . 66.0 mt-30 -126.37 155.17 42.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.2 p -77.98 -32.73 51.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.14 -51.17 55.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.3 m -56.51 -45.69 80.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.15 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.549 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 59.9 ttp -59.95 -57.67 11.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 33.4 mttm -47.66 -48.08 29.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.476 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -63.73 -27.22 69.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.552 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 42.7 t60 -75.96 -37.95 58.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 20' ' ' ILE . 58.3 mt -71.71 -27.76 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -94.97 -10.59 30.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 33' ' ' MET . 19.3 mm-40 -101.64 -37.03 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.552 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 29.7 mmtt -99.05 -30.97 12.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.6 ' CD2' HD12 ' A' ' 20' ' ' ILE . 62.0 m-70 -121.06 48.29 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.0 t -65.51 -41.04 93.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -94.33 -23.22 17.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -82.5 43.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.407 HG22 ' N ' ' A' ' 44' ' ' ALA . 4.1 p -159.52 152.85 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.407 ' N ' HG22 ' A' ' 43' ' ' VAL . . . -94.25 -67.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -88.79 145.21 25.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 11.1 m-85 -110.12 101.84 10.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' CYS . 16.0 m-70 -83.57 108.56 16.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' HIS . 30.1 t -37.81 137.48 0.7 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 32' ' ' LYS . 53.8 Cg_endo -69.78 10.58 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -132.06 -67.45 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.9 p -105.64 179.83 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -91.74 80.16 5.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.7 m -135.04 118.59 16.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.5 t -71.88 136.13 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 57' ' ' ARG . 37.7 mm -124.01 82.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -29.65 -71.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.687 ' O ' HG22 ' A' ' 55' ' ' ILE . 23.3 ptt180 -100.51 149.6 23.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.583 ' HG2' ' CE2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -68.43 -46.74 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 p -40.76 -30.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' LEU . 1.6 t70 -83.67 -37.48 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' LYS . 47.9 tp -38.05 -53.72 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -49.95 -58.21 8.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.523 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.5 t -44.9 -43.27 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 111.164 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.401 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 56.3 t60 -69.07 -38.77 79.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.407 HD22 ' CE2' ' A' ' 71' ' ' TYR . 16.2 mt -68.74 -21.91 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -93.78 -42.97 8.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -73.56 -72.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.401 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 11.4 mm-40 -57.41 -48.65 78.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -104.86 171.0 7.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.6 t -102.94 97.4 7.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.407 ' CE2' HD22 ' A' ' 65' ' ' LEU . 9.6 m-85 -133.32 82.84 2.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.962 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.4 t -67.91 146.87 53.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 165.99 98.0 0.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.532 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 102.49 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.712 2.274 . . . . 0.0 112.356 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.3 m -53.5 133.37 40.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.7 m -90.63 120.97 32.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.482 -179.97 . . . . . . . . 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 -0.308 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -146.47 116.68 7.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.373 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 p -139.79 178.37 7.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.95 173.47 43.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -145.21 136.18 24.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -139.57 163.03 33.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.27 -151.47 9.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -87.44 -61.11 1.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.8 m -156.65 130.49 8.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -60.14 89.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 m -169.7 134.79 1.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.96 132.54 9.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.453 ' OE2' ' NH1' ' A' ' 24' ' ' ARG . 9.9 pt-20 -90.68 -45.11 9.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 49.1 mttt -147.85 105.02 3.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 4.25 2.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 68.7 m-85 -133.85 166.1 23.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -175.05 139.76 0.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.8 t -69.82 124.19 23.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -81.76 18.63 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.548 HD12 HG23 ' A' ' 35' ' ' ILE . 58.7 mt -116.48 -52.85 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 32.0 p -111.99 2.58 16.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.0 m80 65.91 26.98 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.551 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -79.97 102.73 9.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 5.5 mmt85 -61.75 152.96 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 81.5 m-85 -146.08 131.56 18.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.617 HG23 ' HG2' ' A' ' 27' ' ' GLN . 6.2 t -74.18 -16.55 60.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.617 ' HG2' HG23 ' A' ' 26' ' ' THR . 14.5 mm-40 -133.87 150.95 51.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 95.6 p -72.02 -50.51 27.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.75 -39.3 16.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.9 m -69.76 -47.29 63.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 111.137 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.454 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 28.9 ttp -59.21 -52.36 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -57.65 -38.9 75.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.423 ' HG3' ' CB ' ' A' ' 49' ' ' PRO . 9.6 mtm -72.7 -15.92 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 46.7 t60 -85.95 -43.31 13.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.548 HG23 HD12 ' A' ' 20' ' ' ILE . 60.3 mt -63.71 -26.42 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.14 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.947 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -93.73 -8.19 41.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.428 ' C ' ' HE2' ' A' ' 38' ' ' LYS . 53.5 mt-30 -100.18 -42.39 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.563 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 10.7 mmpt? -94.84 -34.7 12.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.545 ' CD2' HD12 ' A' ' 20' ' ' ILE . 43.9 m-70 -115.79 45.44 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 t -61.23 -39.26 89.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -100.29 -28.38 13.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -77.67 50.44 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 39' ' ' HIS . 5.7 p -165.63 149.64 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.93 -58.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.629 ' HE3' HG11 ' A' ' 54' ' ' VAL . 14.4 tttp -88.04 129.45 35.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -100.69 150.2 23.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -133.39 138.04 46.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.411 ' C ' ' H ' ' A' ' 50' ' ' HIS . 38.9 t -65.74 129.85 94.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.423 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.77 10.43 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.433 ' NE2' ' CD2' ' A' ' 65' ' ' LEU . 20.6 m-70 -124.45 -71.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.6 p -105.39 164.2 12.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -75.7 78.7 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.3 m -128.06 137.05 52.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.629 HG11 ' HE3' ' A' ' 45' ' ' LYS . 95.0 t -89.56 140.67 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.488 HG21 ' N ' ' A' ' 61' ' ' LEU . 25.6 mm -128.94 133.09 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.9 -72.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 ptt-85 -122.13 -178.74 3.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' LEU . 12.0 tptm -62.13 -63.32 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.1 m -38.95 -42.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.02 -44.09 97.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.488 ' N ' HG21 ' A' ' 55' ' ' ILE . 63.2 tp -39.87 -45.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -54.17 -63.31 5.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.8 t -37.82 -44.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 111.092 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -68.33 -37.79 80.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' GLY . 14.8 mt -63.06 -40.49 97.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -81.62 -35.95 29.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -67.98 -61.93 1.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -72.22 -50.32 28.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -107.85 177.74 4.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.0 m -106.48 95.53 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -124.56 76.54 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.6 t -169.47 170.48 8.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.98 142.1 21.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -29.61 23.33 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.637 2.225 . . . . 0.0 112.377 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.0 p -74.46 167.52 21.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.4 t -58.19 109.5 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.51 -179.943 . . . . . . . . 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 -0.308 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m -126.62 165.06 19.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -163.64 173.34 13.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.34 144.86 4.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -119.84 110.02 16.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.815 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.1 p -110.91 124.75 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.92 144.35 16.12 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -144.83 153.9 42.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.9 p -37.6 140.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' CG ' ' O ' ' A' ' 10' ' ' HIS . 22.3 t-160 -83.64 36.84 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.2 t -126.88 80.07 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.486 ' C ' ' CD ' ' A' ' 13' ' ' GLU . . . 116.86 -45.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.486 ' CD ' ' C ' ' A' ' 12' ' ' GLY . 4.9 pm0 39.94 28.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.958 0.409 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 33.0 mttt -144.35 108.65 4.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.699 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -1.65 8.79 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 63.6 m-85 -127.68 159.34 35.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.94 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -169.22 143.83 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' HG12 ' A' ' 35' ' ' ILE . 20.3 t -75.9 122.66 24.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -81.21 19.09 0.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.443 HD12 ' CD2' ' A' ' 39' ' ' HIS . 77.8 mt -117.71 -51.9 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 30.1 p -111.28 2.25 17.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 63.67 33.49 13.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.514 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -89.05 106.99 18.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 12.7 mmt85 -65.51 150.58 48.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 96.5 m-85 -145.75 139.75 26.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.479 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 9.0 t -99.88 17.21 21.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.127 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -147.4 111.22 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.498 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 78.9 p -45.29 -39.29 6.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.67 -44.55 81.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.8 m -58.22 -54.58 45.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.34 . . . . 0.0 111.127 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 26.2 ttp -50.37 -56.79 9.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -54.29 -45.84 72.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.415 ' HG3' ' CB ' ' A' ' 49' ' ' PRO . 8.6 mtm -64.6 -23.57 67.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.532 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 50.8 t60 -78.49 -45.78 21.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.404 HG23 HD12 ' A' ' 20' ' ' ILE . 59.7 mt -61.97 -25.09 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.761 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -95.68 -7.28 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.434 ' C ' ' HE2' ' A' ' 38' ' ' LYS . 19.5 mm-40 -100.8 -43.07 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 10.7 mmpt? -94.37 -34.3 12.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.451 ' O ' HG12 ' A' ' 43' ' ' VAL . 35.6 m-70 -116.48 42.48 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.7 t -56.25 -38.74 71.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -99.35 -30.51 12.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -77.15 57.34 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 39' ' ' HIS . 3.8 p -170.1 147.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.26 -68.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -83.03 135.75 34.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -101.29 101.86 12.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -84.63 126.09 33.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.5 t -55.35 134.38 69.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.66 0.743 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.415 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.77 7.31 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -126.36 -72.38 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.9 p -97.23 169.25 9.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.5 69.49 10.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.8 m -122.26 139.33 53.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -89.4 138.42 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.575 HG21 ' N ' ' A' ' 61' ' ' LEU . 21.5 mm -126.5 129.81 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.94 -76.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.25 175.01 7.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.688 ' HE2' HD13 ' A' ' 36' ' ' LEU . 26.8 tptp -54.06 -66.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' LYS . 14.9 p -36.87 -41.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.77 -43.3 96.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.575 ' N ' HG21 ' A' ' 55' ' ' ILE . 58.8 tp -40.12 -53.36 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -45.49 -58.73 5.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.404 HG13 ' HD3' ' A' ' 67' ' ' LYS . 96.1 t -41.96 -44.34 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 111.116 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.406 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 55.9 t60 -67.94 -33.39 74.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' GLY . 26.9 mt -73.95 -26.61 60.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -88.38 -39.95 13.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -75.55 -74.18 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.406 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 4.2 mm100 -56.5 -47.13 79.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -106.39 173.34 6.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.4 t -113.13 103.59 11.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -134.94 39.49 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -155.05 154.73 32.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 173.89 85.71 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.44 5.29 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.299 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 t -75.46 118.28 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 64.8 m -119.93 157.36 28.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.813 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.484 179.974 . . . . . . . . 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 -0.293 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.9 m -46.8 -60.41 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 110.863 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t 69.91 42.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.5 105.58 0.21 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -87.34 122.48 31.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 t -107.59 125.57 51.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.99 74.11 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -117.13 -47.18 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 9' ' ' THR . 9.4 t -75.72 118.93 19.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -122.87 94.05 4.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -150.07 141.87 23.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.69 139.25 6.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' C ' ' HG3' ' A' ' 14' ' ' LYS . 14.6 pt-20 -111.03 125.75 54.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 24' ' ' ARG . 38.5 mttp -152.42 105.77 2.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.726 2.284 . . . . 0.0 112.29 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 71.9 m-85 -132.44 156.09 47.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -165.72 139.51 4.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -71.73 123.55 22.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -81.84 16.34 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.597 HG21 ' CE1' ' A' ' 39' ' ' HIS . 86.8 mt -111.94 -49.29 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 31.9 p -117.14 1.56 12.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 66.55 30.79 8.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.594 ' O ' ' CE2' ' A' ' 25' ' ' PHE . . . -83.85 105.07 14.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 6.8 mmt85 -62.55 154.07 29.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 23' ' ' ALA . 95.9 m-85 -151.17 128.5 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.608 HG23 ' HG3' ' A' ' 27' ' ' GLN . 6.9 t -71.78 -17.37 62.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.608 ' HG3' HG23 ' A' ' 26' ' ' THR . 67.4 mt-30 -126.92 158.04 37.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 94.1 p -82.06 -48.67 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -51.8 -43.19 54.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -64.23 -44.49 91.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.347 . . . . 0.0 111.166 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.462 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 40.0 ttp -66.07 -55.56 15.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -47.25 -45.84 23.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.491 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 8.4 mtm -65.11 -40.13 94.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.464 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 27.6 t60 -60.76 -36.36 78.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.568 HG23 HD12 ' A' ' 20' ' ' ILE . 42.3 mt -70.86 -34.66 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.508 HD13 ' HE3' ' A' ' 58' ' ' LYS . 1.4 pp -90.56 -11.69 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -96.81 -37.15 10.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 30.9 mmtt -99.77 -35.57 9.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.597 ' CE1' HG21 ' A' ' 20' ' ' ILE . 59.4 m-70 -115.42 46.01 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 36' ' ' LEU . 1.1 t -59.5 -39.46 83.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -93.93 -31.33 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -77.87 54.33 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 39' ' ' HIS . 6.9 p -170.62 146.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.17 -68.06 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -80.96 133.66 35.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 57' ' ' ARG . 57.1 m-85 -100.45 101.73 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -83.65 129.98 34.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.4 t -57.52 135.07 82.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -21.43 33.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.391 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.721 ' NE2' HD22 ' A' ' 65' ' ' LEU . 16.9 m-70 -92.49 -67.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 p -105.0 178.97 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.29 81.18 3.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.7 m -133.26 141.42 48.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.0 t -84.22 137.02 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.645 HG21 ' HA ' ' A' ' 61' ' ' LEU . 17.2 mm -128.0 128.68 69.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.53 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.563 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 13.2 ptm180 -135.7 -176.77 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.508 ' HE3' HD13 ' A' ' 36' ' ' LEU . 13.4 tptm -54.52 -68.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' LYS . 7.7 m -38.08 -44.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -41.06 98.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.645 ' HA ' HG21 ' A' ' 55' ' ' ILE . 20.6 tp -45.13 -61.85 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' LEU . . . -36.43 -59.25 1.03 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.7 t -41.78 -45.13 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.402 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 59.9 t60 -71.73 -41.03 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.721 HD22 ' NE2' ' A' ' 50' ' ' HIS . 35.2 mt -65.75 -23.7 66.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -93.74 -42.02 9.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 2.6 mptt -70.66 -71.83 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.402 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 31.9 mm-40 -59.89 -48.29 82.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -103.59 -175.57 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.9 m -104.59 103.97 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.669 ' CE2' HD13 ' A' ' 65' ' ' LEU . 4.7 m-85 -132.35 42.74 3.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.5 t -130.69 -50.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.52 -127.6 1.77 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -44.24 2.17 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 t -143.72 127.89 17.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.3 t -42.71 140.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.468 -179.937 . . . . . . . . 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 1.452 -0.291 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t 57.5 40.85 26.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -71.58 154.08 41.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.97 46.14 2.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.1 p -106.79 134.51 49.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.9 m -54.35 -61.83 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.806 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.63 65.45 3.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -130.4 40.05 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.2 p -124.53 141.83 51.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -167.49 119.27 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.9 m -122.57 132.93 54.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.413 ' HA3' ' NH2' ' A' ' 24' ' ' ARG . . . 101.48 81.95 1.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.49 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.423 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 7.5 pt-20 -117.87 71.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 13' ' ' GLU . 6.3 mptt -152.81 112.65 2.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.637 0.732 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.9 Cg_endo -69.76 2.97 3.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.716 2.278 . . . . 0.0 112.364 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 81.1 m-85 -135.32 154.28 51.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -162.93 141.3 8.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 t -73.09 123.65 24.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -83.23 16.46 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.71 HG21 ' CE1' ' A' ' 39' ' ' HIS . 90.4 mt -112.97 -51.42 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.1 p -110.1 -10.78 14.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.7 m80 74.86 37.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.605 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -97.32 107.11 19.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' NH2' ' HA3' ' A' ' 12' ' ' GLY . 16.3 mmm-85 -58.94 156.17 12.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 87.2 m-85 -150.25 130.23 13.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -86.7 3.39 45.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -136.0 122.73 21.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 89.8 p -56.28 -37.58 70.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.98 -51.9 36.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.8 m -50.43 -51.54 45.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.402 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.7 ttp -52.4 -61.09 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -51.24 -38.57 53.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.8 mtm -71.5 -21.61 61.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.456 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 35.9 t60 -82.25 -39.78 22.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.441 HG23 HD12 ' A' ' 20' ' ' ILE . 71.5 mt -67.5 -30.32 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.834 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -89.52 -7.31 55.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -102.15 -41.96 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 29.8 mmtt -97.66 -30.68 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.819 ' O ' HG12 ' A' ' 43' ' ' VAL . 61.1 m-70 -119.97 46.03 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.469 ' CB ' ' HZ3' ' A' ' 58' ' ' LYS . 3.4 t -64.21 -34.11 77.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 19.2 pt-20 -89.44 -49.6 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 6.0 t-20 -42.2 -45.75 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.819 HG12 ' O ' ' A' ' 39' ' ' HIS . 3.1 p -73.77 144.26 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.23 -63.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.68 ' HE3' HG11 ' A' ' 54' ' ' VAL . 15.5 tttp -93.01 141.62 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.594 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 10.6 m-85 -102.39 146.71 27.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -137.64 134.89 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.4 ' C ' ' H ' ' A' ' 50' ' ' HIS . 44.3 t -58.43 125.68 76.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 9.82 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.377 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.4 ' H ' ' C ' ' A' ' 48' ' ' CYS . 40.7 m-70 -123.48 -71.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.3 p -107.51 177.92 4.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -83.03 85.65 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.4 m -136.09 112.12 9.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.68 HG11 ' HE3' ' A' ' 45' ' ' LYS . 96.6 t -74.14 133.66 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.4 mm -122.28 136.21 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.68 -70.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.47 158.03 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.594 ' HG2' ' CE2' ' A' ' 46' ' ' PHE . 0.7 OUTLIER -65.31 -50.49 65.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -40.93 -31.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.01 -38.12 16.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 58' ' ' LYS . 58.8 tp -38.48 -51.67 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -49.6 -57.84 9.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.3 t -40.94 -42.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 111.144 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.466 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 54.3 t60 -69.48 -38.71 77.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.683 HD22 ' CE1' ' A' ' 71' ' ' TYR . 20.8 mt -70.33 -28.43 65.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.3 mtm-85 -85.59 -42.89 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -71.73 -74.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.466 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 38.3 mm-40 -56.35 -49.09 75.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -106.86 -176.92 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.5 m -104.25 106.41 16.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.683 ' CE1' HD22 ' A' ' 65' ' ' LEU . 12.4 m-85 -144.09 150.02 37.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.5 p -101.05 149.21 24.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -130.01 -166.06 11.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 113.39 3.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.356 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.4 p -78.42 -49.21 13.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.5 m 58.59 42.49 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.483 179.969 . . . . . . . . 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 ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 mttt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 2.86 3.19 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.633 2.222 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 61.1 m-85 -130.91 155.84 46.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -163.27 145.08 9.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.3 t -79.6 124.57 28.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -83.11 16.91 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.737 HD12 HG23 ' A' ' 35' ' ' ILE . 78.7 mt -113.93 -47.87 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 30.8 p -116.54 -6.62 11.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 73.65 27.12 1.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.584 ' O ' ' CE2' ' A' ' 25' ' ' PHE . . . -83.05 108.41 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -63.23 156.13 26.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 23' ' ' ALA . 97.2 m-85 -151.65 135.21 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -90.53 0.84 57.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -131.72 129.06 40.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 93.9 p -61.67 -34.54 75.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.58 -48.34 29.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.53 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.3 m -53.74 -48.59 69.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.147 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.423 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.4 ttp -56.15 -61.85 2.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -47.4 -42.87 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.488 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 15.4 mtm -69.28 -28.08 65.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.418 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 33.7 t60 -73.0 -41.69 64.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.737 HG23 HD12 ' A' ' 20' ' ' ILE . 55.3 mt -65.83 -30.02 48.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.56 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -92.29 -9.68 41.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -97.06 -41.19 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 35.5 mmtt -97.58 -32.32 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' CE1' ' CG2' ' A' ' 20' ' ' ILE . 50.2 m-70 -118.89 57.8 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.4 t -77.61 -30.98 52.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -97.3 -25.08 15.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -85.21 44.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 45' ' ' LYS . 3.4 p -160.98 133.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.41 -61.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.51 ' NZ ' HG11 ' A' ' 54' ' ' VAL . 26.8 mmtt -85.01 145.4 27.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' ' HA ' ' A' ' 57' ' ' ARG . 55.8 m-85 -112.63 134.46 54.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -116.39 142.3 47.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.3 t -68.47 126.94 93.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.426 ' NE2' HD21 ' A' ' 65' ' ' LEU . 28.0 m-70 -116.3 -71.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 p -103.41 174.55 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -89.22 91.29 8.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.6 m -145.86 142.54 28.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.51 HG11 ' NZ ' ' A' ' 45' ' ' LYS . 74.2 t -84.0 142.72 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.8 mm -130.41 122.61 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -41.0 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.586 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 1.3 ptm180 -131.57 172.0 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 6.3 ttmt -52.44 -61.29 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.3 p -41.72 -38.42 1.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.45 -41.11 85.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.0 tp -39.79 -57.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -41.23 -53.31 4.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.8 t -49.09 -46.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -66.51 -39.09 88.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 71' ' ' TYR . 16.7 mt -65.9 -25.57 67.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -91.45 -41.27 10.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -71.69 -74.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -59.46 -49.84 76.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -103.22 -177.04 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.3 t -117.8 92.68 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.471 ' CD1' HD22 ' A' ' 65' ' ' LEU . 11.3 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.1 Cg_endo -69.74 3.18 2.91 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.371 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 76.4 m-85 -134.56 157.24 47.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -162.73 139.82 7.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.7 t -73.49 124.48 25.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -82.47 19.33 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.705 HD12 HG23 ' A' ' 35' ' ' ILE . 74.4 mt -116.53 -51.48 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 27.1 p -114.03 3.05 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 62.72 32.97 15.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.523 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -87.52 112.58 22.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -66.9 149.57 50.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 86.5 m-85 -144.36 140.24 28.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.9 t -98.47 16.79 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -150.21 118.48 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 85.2 p -50.34 -38.46 42.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.22 -50.7 43.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.2 m -51.7 -51.81 53.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.821 0.343 . . . . 0.0 111.139 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.8 ttp -54.23 -62.32 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -45.78 -46.29 15.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.485 ' HA ' HD23 ' A' ' 36' ' ' LEU . 10.2 mtm -65.03 -39.26 93.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -62.09 -38.92 90.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.705 HG23 HD12 ' A' ' 20' ' ' ILE . 45.3 mt -69.42 -30.84 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.656 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -92.05 -8.4 46.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -99.42 -41.98 7.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -98.11 -30.7 12.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.776 ' O ' HG12 ' A' ' 43' ' ' VAL . 57.2 m-70 -119.36 48.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 t -66.09 -31.3 72.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 12.1 pt-20 -92.2 -50.19 5.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.401 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 4.7 t-20 -46.7 -44.13 18.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.776 HG12 ' O ' ' A' ' 39' ' ' HIS . 7.4 p -69.3 147.85 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.99 -64.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -94.55 132.2 39.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -91.51 103.74 16.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -90.19 115.18 27.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.5 t -41.93 134.6 2.32 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 0.64 5.34 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.617 ' CD2' ' CD2' ' A' ' 65' ' ' LEU . 35.6 m-70 -118.34 -70.25 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.3 p -101.2 -178.57 3.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -97.36 75.07 2.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 m -125.6 121.78 34.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.1 t -72.58 125.66 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.1 mm -118.2 137.92 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.17 -75.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.051 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.42 117.53 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -47.87 -51.32 23.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.1 t -56.14 -48.05 77.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 61' ' ' LEU . 4.9 m-20 -48.35 -41.66 29.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' ASP . 68.0 tp -37.19 -44.66 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.11 -51.51 57.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.512 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.6 t -48.38 -40.95 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 58.6 t60 -69.53 -32.01 70.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.617 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 18.0 mt -73.33 -33.96 65.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -87.33 -27.63 22.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -79.4 -66.86 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.537 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 18.3 mm-40 -65.17 -46.82 79.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -107.62 167.57 9.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.6 t -89.31 98.81 11.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.854 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 86.2 mttt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.549 0.69 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.1 Cg_endo -69.73 -0.23 6.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.311 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 64.2 m-85 -127.6 151.9 48.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -161.02 147.83 15.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 t -80.09 125.19 29.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -83.05 18.67 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.508 HD12 HG23 ' A' ' 35' ' ' ILE . 76.0 mt -116.12 -50.65 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 28.0 p -115.0 0.73 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 67.82 26.42 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -79.49 112.68 16.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -69.6 153.77 42.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.492 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 97.3 m-85 -149.07 130.96 15.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.474 HG23 ' HG3' ' A' ' 27' ' ' GLN . 2.0 t -74.85 -13.92 60.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.474 ' HG3' HG23 ' A' ' 26' ' ' THR . 91.1 mt-30 -132.48 160.37 36.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 79.5 p -83.4 -33.35 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.6 -44.72 94.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.5 m -65.37 -36.64 84.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.492 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 32.4 ttp -71.43 -54.28 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -50.83 -46.24 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.456 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 9.1 mtt -65.03 -33.04 75.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -69.19 -36.46 77.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.508 HG23 HD12 ' A' ' 20' ' ' ILE . 53.7 mt -73.97 -30.4 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -93.8 -7.89 42.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 33' ' ' MET . 13.3 mm-40 -101.75 -41.63 6.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -96.07 -33.87 11.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.559 ' O ' HG12 ' A' ' 43' ' ' VAL . 61.5 m-70 -116.37 45.21 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.3 t -63.04 -34.77 78.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -91.36 -34.95 14.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -79.78 44.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 39' ' ' HIS . 7.3 p -160.7 143.66 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.82 -54.13 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -83.83 109.98 17.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' ' HG2' ' A' ' 58' ' ' LYS . 75.7 m-85 -86.96 108.09 18.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -89.75 129.31 36.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.0 t -58.27 128.72 82.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 3.73 2.59 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.643 2.229 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -118.58 -71.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.7 p -103.22 -177.48 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -96.0 73.36 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.6 m -123.13 135.08 54.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.9 132.05 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.531 HG21 ' HA ' ' A' ' 61' ' ' LEU . 49.1 mm -122.13 123.04 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.24 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.412 ' HA ' ' CE2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -129.54 177.52 7.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.586 ' HG2' ' CE1' ' A' ' 46' ' ' PHE . 9.0 mmtp -59.41 -59.41 5.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.5 t -42.94 -28.33 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.64 -33.03 18.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.531 ' HA ' HG21 ' A' ' 55' ' ' ILE . 43.7 tp -43.14 -49.05 6.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -51.84 -60.88 6.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.447 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.423 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 93.8 t -38.04 -41.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -71.29 -38.09 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 62' ' ' GLY . 39.6 mt -67.62 -39.47 84.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -80.87 -32.46 34.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 16.7 mmtp -73.56 -68.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -66.1 -50.18 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -104.52 178.52 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.8 t -114.5 105.73 13.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.825 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 30.7 mttp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.575 0.702 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.8 Cg_endo -69.79 0.94 4.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.298 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 54.8 m-85 -128.16 154.77 45.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -161.21 140.08 10.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.0 t -74.29 124.97 27.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -82.8 18.8 1.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.514 HD12 ' CD2' ' A' ' 39' ' ' HIS . 75.3 mt -116.99 -51.92 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 31.7 p -112.03 -0.17 15.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 66.17 29.86 9.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.469 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -85.41 115.22 23.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.074 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.483 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 12.3 mmt85 -70.06 150.63 46.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -145.56 134.62 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.831 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.455 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 15.2 t -95.07 24.46 4.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -157.51 119.34 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 94.8 p -50.44 -41.12 52.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.68 -51.97 47.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.0 m -50.21 -51.58 42.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.167 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 18.9 ttp -52.96 -63.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -46.41 -46.24 18.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.501 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 12.6 mmm -64.89 -28.14 69.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -76.52 -35.88 58.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.434 HG23 HD12 ' A' ' 20' ' ' ILE . 64.8 mt -73.9 -29.54 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.891 HD12 ' O ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -93.67 -7.86 42.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 33' ' ' MET . 27.3 mm-40 -101.44 -41.86 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -95.92 -32.27 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.547 ' O ' HG12 ' A' ' 43' ' ' VAL . 61.6 m-70 -117.3 44.25 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 t -62.48 -35.07 78.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -94.99 -26.58 16.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -82.62 44.72 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 39' ' ' HIS . 4.9 p -164.33 138.28 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.25 -70.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 43' ' ' VAL . 34.1 mmtm -85.55 160.73 19.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -119.72 161.36 20.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -136.58 129.88 31.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.4 t -58.96 129.52 85.83 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 6.59 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.338 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.495 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 43.2 m-70 -122.98 -71.74 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.1 p -103.94 -179.56 3.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.27 84.29 5.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.5 m -136.2 110.07 8.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.1 129.56 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.8 mm -119.59 143.83 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.54 -73.21 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -73.22 123.38 23.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -55.41 -55.13 35.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.5 m -46.11 -36.53 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' LEU . 72.6 m-20 -68.67 -40.13 80.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 60' ' ' ASP . 66.8 tp -37.45 -47.76 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.14 -50.76 57.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.526 HG12 ' HG3' ' A' ' 67' ' ' LYS . 97.0 t -52.05 -39.44 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 51.1 t60 -71.76 -31.58 66.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 mt -71.76 -33.18 68.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -90.05 -35.92 15.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.526 ' HG3' HG12 ' A' ' 63' ' ' VAL . 6.3 mmpt? -68.42 -53.03 26.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.564 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 37.1 mm-40 -81.02 -50.28 9.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 50' ' ' HIS . 30.2 m-70 -106.05 167.5 9.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.9 m -87.95 115.75 25.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.877 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 47.9 mttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.0 Cg_endo -69.74 3.94 2.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 60.1 m-85 -132.15 155.91 47.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -162.64 145.3 10.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.6 t -79.38 124.22 28.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -81.49 16.7 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.657 HD12 HG23 ' A' ' 35' ' ' ILE . 76.3 mt -114.8 -52.82 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 p -109.94 -8.03 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 72.5 30.23 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.588 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -86.91 108.89 18.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -61.57 153.58 27.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 92.5 m-85 -148.2 136.59 21.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 t -94.06 8.11 42.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -140.73 121.94 14.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 90.2 p -56.35 -34.17 66.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.0 -51.19 29.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.7 m -53.34 -49.92 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 111.177 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.442 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 17.6 ttp -54.57 -60.58 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -49.86 -38.0 33.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.498 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 12.6 mtm -74.34 -27.1 60.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -73.76 -39.76 63.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.657 HG23 HD12 ' A' ' 20' ' ' ILE . 50.8 mt -70.61 -26.99 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.698 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -94.93 -8.08 38.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 33' ' ' MET . 51.4 mt-30 -99.98 -41.77 7.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.97 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -98.47 -34.91 10.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.515 ' O ' HG12 ' A' ' 43' ' ' VAL . 59.5 m-70 -113.5 46.39 1.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 t -65.52 -34.72 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -97.52 -24.59 15.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -81.74 39.84 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 39' ' ' HIS . 3.4 p -158.57 146.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.93 -57.51 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -87.7 136.57 32.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 58' ' ' LYS . 80.9 m-85 -104.36 141.52 36.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -123.5 136.7 54.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.5 t -65.75 129.23 94.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 2.54 3.45 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.539 ' CD2' ' CD2' ' A' ' 65' ' ' LEU . 36.0 m-70 -116.47 -72.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.3 p -102.94 177.23 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -90.56 76.65 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.6 m -128.7 124.98 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.28 136.45 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.526 HG13 HD12 ' A' ' 61' ' ' LEU . 23.1 mm -122.84 125.16 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.64 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.28 170.79 8.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 3.6 ttmm -63.53 -56.26 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.4 t -42.11 -36.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.12 -36.57 64.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.526 HD12 HG13 ' A' ' 55' ' ' ILE . 14.2 tp -43.04 -60.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -39.32 -58.46 2.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.1 t -42.52 -43.62 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -71.09 -39.19 72.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.539 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 28.2 mt -66.67 -28.04 68.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -89.93 -36.56 14.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -73.13 -71.76 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -61.4 -46.97 87.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -107.62 -175.86 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.545 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 39.8 t -109.61 130.61 55.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 70' ' ' SER . 10.7 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 71.0 mttt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.577 0.703 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -0.38 6.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.377 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 67.7 m-85 -128.11 150.62 49.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -160.48 142.8 12.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.9 t -76.29 123.28 25.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -82.65 18.42 1.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.613 HD12 HG23 ' A' ' 35' ' ' ILE . 79.1 mt -113.41 -49.15 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.436 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 30.2 p -117.16 -5.72 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.436 ' CD2' ' C ' ' A' ' 21' ' ' CYS . 17.4 m-70 73.81 30.15 1.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.476 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -85.56 107.13 17.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 20.5 mmt180 -63.22 156.07 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.525 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 83.2 m-85 -147.53 131.14 16.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.405 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -72.87 -16.23 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -131.32 167.07 19.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 76.4 p -86.69 -49.76 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -50.57 -45.08 47.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -61.25 -47.87 84.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 111.108 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.525 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 40.2 ttp -59.87 -55.46 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -50.18 -45.85 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.49 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -65.25 -33.01 74.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -68.96 -37.82 79.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.613 HG23 HD12 ' A' ' 20' ' ' ILE . 47.3 mt -72.58 -31.77 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -92.08 -8.15 46.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 33' ' ' MET . 12.5 mm100 -101.71 -41.48 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -95.96 -33.23 12.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.551 ' ND1' HG21 ' A' ' 20' ' ' ILE . 61.5 m-70 -117.45 44.29 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 t -60.23 -37.94 81.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -98.74 -24.63 14.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -81.47 41.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 44' ' ' ALA . 4.9 p -151.91 152.95 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.422 ' N ' HG22 ' A' ' 43' ' ' VAL . . . -92.29 -68.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HD3' HG21 ' A' ' 54' ' ' VAL . 37.2 mttm -92.45 140.25 29.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -106.1 102.06 11.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -83.42 116.34 22.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -44.87 136.32 4.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 5.25 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.518 ' CE1' ' HH ' ' A' ' 71' ' ' TYR . 48.1 m-70 -124.29 -65.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.9 p -106.99 -177.38 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.55 82.22 3.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.4 m -142.64 115.72 8.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.55 HG21 ' HD3' ' A' ' 45' ' ' LYS . 81.9 t -64.08 141.0 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 57' ' ' ARG . 38.1 mm -125.77 80.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -36.79 -72.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.59 ' O ' HG22 ' A' ' 55' ' ' ILE . 36.6 ttp85 -72.03 130.75 41.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -57.77 -66.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.5 t -39.68 -55.77 1.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -38.48 -40.12 0.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.428 ' CA ' HG21 ' A' ' 55' ' ' ILE . 65.7 tp -38.15 -49.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.04 -56.06 25.01 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.1 t -47.12 -44.83 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -67.78 -26.32 66.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.433 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 35.1 mt -78.14 -26.38 47.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -91.37 -32.65 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -77.0 -70.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -60.24 -45.95 91.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -109.19 -179.93 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.3 m -101.25 103.78 14.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.518 ' HH ' ' CE1' ' A' ' 50' ' ' HIS . 4.7 m-85 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 54.7 mttp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.557 0.694 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.6 Cg_endo -69.77 4.86 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.374 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 73.7 m-85 -129.99 151.57 50.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 28.2 tt0 -163.59 148.71 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.427 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 43.6 t -78.95 126.96 31.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -84.43 14.57 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.635 HD12 HG23 ' A' ' 35' ' ' ILE . 90.4 mt -111.81 -52.4 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.2 p -109.3 -3.05 17.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 66.21 36.3 5.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.594 ' O ' ' CE2' ' A' ' 25' ' ' PHE . . . -94.85 107.97 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -60.08 161.05 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 23' ' ' ALA . 88.8 m-85 -153.22 126.48 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 t -71.45 -15.96 62.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -123.11 154.5 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 54.1 p -78.1 -53.77 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.45 -50.99 28.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.4 m -52.27 -50.2 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.731 0.3 . . . . 0.0 111.121 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.4 ttp -58.1 -62.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.453 ' CD ' ' O ' ' A' ' 28' ' ' SER . 0.4 OUTLIER -47.35 -47.41 25.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.429 ' HG3' ' CB ' ' A' ' 49' ' ' PRO . 32.1 mtm -63.44 -40.75 97.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -59.36 -38.63 80.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.635 HG23 HD12 ' A' ' 20' ' ' ILE . 32.5 mt -69.57 -32.68 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -91.88 -8.13 47.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -98.37 -38.85 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -101.94 -34.98 9.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.543 ' CE1' HG21 ' A' ' 20' ' ' ILE . 58.6 m-70 -114.0 50.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 t -69.69 -33.89 73.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.87 -32.8 12.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -75.45 50.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.4 p -170.28 144.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.15 -66.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -95.65 151.38 19.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -108.0 160.39 15.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -136.23 121.44 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.9 t -47.08 130.13 9.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.717 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.434 ' HA ' ' CB ' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.78 8.63 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 44.2 m-70 -124.2 -70.95 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.7 p -104.64 174.09 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -83.23 81.47 8.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.4 m -131.84 114.49 14.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 99.8 t -72.37 126.98 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.3 mm -119.59 143.55 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.61 -75.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -68.49 112.88 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -46.37 -46.95 18.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 t -52.59 -39.23 61.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.39 -39.04 88.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.0 tp -38.76 -42.43 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.85 -48.12 83.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.688 HG12 ' HD3' ' A' ' 67' ' ' LYS . 58.2 t -52.37 -43.05 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 111.109 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.557 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 59.5 t60 -68.81 -32.19 71.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.429 HD22 ' CE1' ' A' ' 71' ' ' TYR . 22.3 mt -73.18 -33.49 65.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -82.62 -35.88 26.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.688 ' HD3' HG12 ' A' ' 63' ' ' VAL . 3.2 mtpm? -72.73 -70.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.557 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 10.2 mm100 -62.46 -48.18 80.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 50' ' ' HIS . 28.5 m-70 -109.67 -176.24 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.4 t -110.84 102.43 10.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.429 ' CE1' HD22 ' A' ' 65' ' ' LEU . 5.9 m-85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mptt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.565 0.698 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 0.64 5.4 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 63.3 m-85 -129.33 158.55 38.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -164.05 138.5 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 t -72.68 122.96 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -81.79 21.15 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.672 ' CD1' HG23 ' A' ' 35' ' ' ILE . 64.7 mt -117.93 -53.4 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 29.1 p -111.52 -0.21 16.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 67.9 31.19 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.507 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -85.56 112.94 21.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -70.41 144.16 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.456 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 91.4 m-85 -138.87 129.8 26.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.674 HG23 ' HG2' ' A' ' 27' ' ' GLN . 9.0 t -73.98 -18.14 60.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.153 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.674 ' HG2' HG23 ' A' ' 26' ' ' THR . 21.4 mm100 -127.37 146.7 50.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 97.4 p -67.71 -50.66 56.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.808 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.61 -55.53 10.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.9 m -50.46 -50.37 52.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.456 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 37.5 ttp -58.27 -61.92 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -44.84 -47.4 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.404 ' HG3' ' CB ' ' A' ' 49' ' ' PRO . 11.5 mtm -63.63 -37.21 86.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -63.07 -40.55 98.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.672 HG23 ' CD1' ' A' ' 20' ' ' ILE . 45.6 mt -68.02 -29.35 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.872 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -94.74 -8.08 38.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -99.83 -39.55 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -100.62 -34.14 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.899 ' O ' HG12 ' A' ' 43' ' ' VAL . 46.6 m-70 -114.52 41.4 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 t -56.87 -42.5 79.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 16.2 pt-20 -93.89 -49.01 6.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 6.5 m120 -40.78 -38.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.899 HG12 ' O ' ' A' ' 39' ' ' HIS . 7.3 p -80.07 149.74 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.78 -58.82 2.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -97.86 132.71 43.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.402 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 2.9 m-85 -92.08 161.54 14.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' CYS . 8.7 m-70 -150.65 116.91 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' HIS . 44.6 t -35.86 133.82 0.54 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.404 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.7 Cg_endo -69.79 5.39 1.73 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.574 ' CE1' ' HH ' ' A' ' 71' ' ' TYR . 41.5 m-70 -125.3 -68.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.0 p -99.59 176.08 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 16.7 p-10 -91.58 91.2 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.3 m -141.59 124.51 16.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.67 126.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.685 HG22 ' O ' ' A' ' 57' ' ' ARG . 51.5 mm -118.42 77.22 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -28.07 -74.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.685 ' O ' HG22 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -90.01 145.71 24.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 61' ' ' LEU . 12.0 tptp -55.54 -56.62 18.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 58' ' ' LYS . 4.2 m -36.74 -55.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -44.69 -42.95 8.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.47 ' N ' HG21 ' A' ' 55' ' ' ILE . 45.7 tp -36.93 -49.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.5 -54.06 39.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.697 HG12 ' HD3' ' A' ' 67' ' ' LYS . 94.6 t -48.37 -40.84 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.493 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 59.1 t60 -69.66 -38.07 76.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.25 -37.7 81.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -77.44 -36.79 52.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.697 ' HD3' HG12 ' A' ' 63' ' ' VAL . 3.6 mtpm? -73.36 -73.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.493 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 15.6 mm-40 -57.72 -49.41 76.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -107.81 -176.91 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 t -112.38 87.62 2.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.574 ' HH ' ' CE1' ' A' ' 50' ' ' HIS . 6.4 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 71.3 mttt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.584 0.707 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.4 Cg_endo -69.76 3.36 2.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 62.0 m-85 -132.11 159.17 39.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 14.4 tt0 -169.79 144.69 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 20.0 t -77.32 127.17 32.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -84.65 12.65 6.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.61 HG21 ' CE1' ' A' ' 39' ' ' HIS . 92.5 mt -109.92 -51.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.17 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.433 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 20.7 p -108.19 -12.6 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 21' ' ' CYS . 19.5 m-70 74.94 38.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.588 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -97.99 108.15 20.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 13.9 mmt180 -59.49 154.6 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 89.6 m-85 -148.1 135.75 20.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.8 t -96.81 19.48 12.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -152.23 110.78 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 88.7 p -45.39 -39.49 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.9 -52.98 40.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.3 m -50.83 -53.35 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.753 0.311 . . . . 0.0 111.119 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.403 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.3 ttp -53.28 -61.02 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -47.01 -44.52 20.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 21.9 mtm -68.34 -33.23 73.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -70.15 -37.97 75.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.1 mt -72.56 -30.06 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.759 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -93.7 -8.18 41.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 33' ' ' MET . 24.7 mm-40 -101.71 -37.54 8.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -98.62 -32.31 11.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.61 ' CE1' HG21 ' A' ' 20' ' ' ILE . 61.9 m-70 -118.77 50.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 t -71.13 -23.78 62.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -97.44 -29.98 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -79.54 43.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 39' ' ' HIS . 2.7 p -168.32 138.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.48 -54.65 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -85.27 131.31 34.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' A' ' 58' ' ' LYS . 83.3 m-85 -102.21 152.82 20.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -138.22 138.98 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.428 ' C ' ' H ' ' A' ' 50' ' ' HIS . 35.4 t -66.51 126.62 92.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.489 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.76 13.13 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.342 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.428 ' H ' ' C ' ' A' ' 48' ' ' CYS . 42.1 m-70 -126.17 -72.64 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.6 p -104.4 159.35 15.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.17 82.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -133.01 135.24 45.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -83.47 140.49 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.179 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 57' ' ' ARG . 45.1 mm -128.66 121.55 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.86 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' O ' HG22 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -120.59 173.6 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' LEU . 18.9 tptp -60.86 -60.66 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -38.27 -39.08 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 61' ' ' LEU . 6.3 t0 -68.21 -44.39 75.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' LYS . 54.1 tp -35.68 -50.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -50.33 -59.08 8.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.532 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -44.25 -41.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.408 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 54.6 t60 -69.43 -32.4 71.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.2 -35.37 71.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -84.38 -33.48 23.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -73.39 -63.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.408 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 20.5 mm100 -69.63 -47.74 62.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -110.43 -178.19 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 m -113.23 107.21 15.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.964 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.493 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 66.6 mttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.577 0.703 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.2 Cg_endo -69.74 1.84 4.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 70.9 m-85 -132.27 153.5 50.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -161.91 141.12 9.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.6 t -74.64 123.33 24.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -82.4 20.02 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.702 ' CD1' HG23 ' A' ' 35' ' ' ILE . 64.2 mt -116.06 -52.46 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 31.1 p -113.21 -2.12 14.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 71.51 27.36 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.502 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -82.38 109.4 16.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.493 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 14.9 mmt180 -68.05 149.24 49.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CD1' HG22 ' A' ' 30' ' ' THR . 80.1 m-85 -139.3 137.58 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.471 HG23 ' HG3' ' A' ' 27' ' ' GLN . 2.9 t -78.23 -16.42 57.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.471 ' HG3' HG23 ' A' ' 26' ' ' THR . 46.4 mt-30 -131.55 162.89 29.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 51.5 p -82.15 -42.6 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.61 -45.1 95.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.616 HG22 ' CD1' ' A' ' 25' ' ' PHE . 73.1 m -60.22 -45.07 94.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.546 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.1 ttp -60.57 -57.52 12.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -51.07 -45.21 61.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 27.8 mmm -64.02 -24.4 67.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.885 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -80.14 -40.38 27.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.702 HG23 ' CD1' ' A' ' 20' ' ' ILE . 58.5 mt -70.49 -26.44 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.749 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -95.48 -8.4 35.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 33' ' ' MET . 20.5 mm-40 -101.99 -40.95 6.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -98.42 -33.85 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.86 ' O ' HG12 ' A' ' 43' ' ' VAL . 60.4 m-70 -115.96 44.86 1.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.4 t -63.26 -30.81 71.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 11.4 pt-20 -91.11 -49.19 6.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 4.8 t-20 -46.45 -44.91 17.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.86 HG12 ' O ' ' A' ' 39' ' ' HIS . 3.3 p -70.23 147.03 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.8 -53.44 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.598 ' HE3' HG11 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -99.96 138.0 37.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.422 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 2.1 m-85 -99.95 134.35 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -124.61 125.28 43.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 50' ' ' HIS . 37.6 t -50.53 127.56 24.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.606 0.717 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 11.5 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.421 ' H ' ' C ' ' A' ' 48' ' ' CYS . 41.3 m-70 -124.91 -71.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.2 p -106.55 176.29 5.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -81.91 81.98 7.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.4 m -135.08 124.65 25.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.598 HG11 ' HE3' ' A' ' 45' ' ' LYS . 88.5 t -85.62 140.32 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' A' ' 46' ' ' PHE . 26.5 mm -127.38 143.46 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.81 -73.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 60' ' ' ASP . 7.4 tpm_? -77.34 108.53 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 57' ' ' ARG . 17.7 tptm -33.26 -44.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -55.21 -48.52 73.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 57' ' ' ARG . 47.9 m-20 -47.67 -40.62 20.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' ASP . 67.9 tp -37.49 -43.36 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.26 -50.17 70.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.756 HG12 ' HD3' ' A' ' 67' ' ' LYS . 57.4 t -52.36 -42.74 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -68.75 -29.82 68.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.2 mt -77.5 -31.9 53.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -84.29 -33.67 23.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.756 ' HD3' HG12 ' A' ' 63' ' ' VAL . 8.6 mtpp -76.58 -71.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -61.53 -48.22 82.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.971 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -107.62 -178.74 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.7 m -121.32 101.92 7.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.907 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.585 0.707 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -2.45 10.2 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 92.8 m-85 -141.79 157.88 44.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -169.3 137.82 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.8 t -71.19 125.68 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -85.83 16.72 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.533 HD12 HG23 ' A' ' 35' ' ' ILE . 83.9 mt -112.32 -48.02 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 26.3 p -117.65 -2.76 11.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 72.76 25.02 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.558 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -79.57 104.22 10.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 -62.44 159.54 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 85.1 m-85 -151.73 126.93 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 m -69.48 -20.26 63.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -124.2 173.86 8.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 97.5 p -90.69 -52.71 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.8 -49.02 35.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.403 HG22 ' CE1' ' A' ' 25' ' ' PHE . 37.7 m -53.67 -48.91 69.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 111.154 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.541 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 22.5 ttp -57.5 -62.0 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -45.8 -49.81 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 9.9 mmm -58.98 -32.61 69.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -72.67 -39.39 67.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.533 HG23 HD12 ' A' ' 20' ' ' ILE . 50.0 mt -71.42 -28.97 33.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.566 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.1 pp -93.72 -8.24 41.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 33' ' ' MET . 40.3 mm-40 -102.03 -40.03 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -98.08 -33.42 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.524 ' CE1' HG21 ' A' ' 20' ' ' ILE . 62.5 m-70 -116.4 43.61 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 t -61.72 -30.63 70.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -96.0 -37.81 10.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -75.45 56.14 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -171.22 147.92 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.97 -73.57 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -89.86 151.08 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -108.06 161.12 15.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -134.06 125.73 28.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.0 t -54.63 136.76 63.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.586 0.708 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 7.42 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.454 ' CD2' HD21 ' A' ' 65' ' ' LEU . 55.1 m-70 -129.48 -73.53 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.1 p -97.06 -178.97 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.99 75.05 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.1 m -124.47 117.87 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.5 133.78 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.808 HG22 ' O ' ' A' ' 57' ' ' ARG . 41.2 mm -125.48 75.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -32.53 -67.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.069 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.808 ' O ' HG22 ' A' ' 55' ' ' ILE . 9.8 tpp180 -79.82 142.15 35.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -64.35 -61.49 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 t -45.78 -42.87 12.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -49.28 -41.09 36.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.565 ' CA ' HG21 ' A' ' 55' ' ' ILE . 45.7 tp -38.5 -47.09 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -55.02 -61.91 6.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.439 HG12 ' HD3' ' A' ' 67' ' ' LYS . 64.8 t -41.63 -52.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 111.134 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.527 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 57.1 t60 -57.1 -33.13 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.559 HD22 ' CZ ' ' A' ' 71' ' ' TYR . 13.1 mt -75.23 -24.24 57.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -88.08 -35.03 17.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HD3' HG12 ' A' ' 63' ' ' VAL . 13.8 mtpt -79.19 -71.37 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.527 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 8.3 mm-40 -56.56 -47.56 79.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -108.72 170.17 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -95.27 111.94 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.559 ' CZ ' HD22 ' A' ' 65' ' ' LEU . 5.0 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 26' ' ' THR . 69.3 mttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.561 0.696 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.6 Cg_endo -69.78 1.21 4.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.317 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -127.95 155.8 43.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 44.3 tt0 -160.71 152.82 20.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 37.6 t -88.0 125.27 34.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -83.45 20.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.573 ' CD1' HG23 ' A' ' 35' ' ' ILE . 77.2 mt -116.17 -52.45 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.166 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.2 p -112.95 -8.01 13.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 74.48 35.57 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.452 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -93.44 110.72 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.441 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 15.3 mmt85 -64.44 157.34 26.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.523 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 84.1 m-85 -147.68 126.09 12.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.51 HG23 ' HG3' ' A' ' 27' ' ' GLN . 4.1 t -68.12 -19.72 64.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.51 ' HG3' HG23 ' A' ' 26' ' ' THR . 77.5 mt-30 -125.07 160.59 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 p -80.98 -45.52 16.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.71 -51.95 51.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 25' ' ' PHE . 95.4 m -51.49 -45.61 62.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.333 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.523 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 28.3 ttp -59.14 -62.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -46.13 -48.03 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.496 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 10.6 mmm -61.61 -34.71 76.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.449 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 40.5 t60 -68.89 -36.71 78.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.573 HG23 ' CD1' ' A' ' 20' ' ' ILE . 53.3 mt -73.44 -31.18 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.496 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 1.4 pp -93.0 -10.78 35.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' MET . 29.9 mm-40 -100.26 -40.81 7.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 29.4 mmtt -95.66 -33.37 12.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.458 ' O ' HG12 ' A' ' 43' ' ' VAL . 63.3 m-70 -118.01 47.29 1.6 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.1 t -63.65 -40.58 97.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -90.82 -27.5 18.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -80.14 42.61 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 39' ' ' HIS . 6.5 p -161.9 144.83 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.36 -70.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -87.6 141.88 28.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -104.82 144.64 31.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -122.49 113.44 19.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.2 t -42.12 135.56 2.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -17.1 37.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -101.72 -64.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.8 p -101.81 -174.26 2.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' THR . 2.3 p30 -86.89 -18.68 30.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' ASP . 92.1 m -32.45 122.26 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.139 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.1 t -84.88 136.73 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.2 mm -119.45 138.77 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.49 -76.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -98.17 150.58 21.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 61' ' ' LEU . 8.6 tptm -57.36 -56.59 19.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 t -38.26 -34.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 61' ' ' LEU . 14.1 t70 -70.97 -42.81 69.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 58' ' ' LYS . 47.8 tp -35.5 -38.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.19 -59.34 8.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.0 t -46.0 -39.04 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.111 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -72.94 -32.63 65.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt -72.89 -27.51 61.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -93.81 -33.38 13.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -76.07 -71.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -62.13 -49.96 73.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -99.26 167.28 10.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -89.47 97.86 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.909 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.49 ' CD ' ' HB3' ' A' ' 24' ' ' ARG . 37.0 mttp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.548 0.689 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.26 6.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 69.0 m-85 -129.31 156.41 44.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 19.7 tt0 -164.93 149.41 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 28.9 t -80.35 127.5 32.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -81.68 19.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.568 HD12 ' CD2' ' A' ' 39' ' ' HIS . 61.1 mt -122.1 -57.06 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.603 ' C ' ' CG ' ' A' ' 22' ' ' HIS . 29.0 p -106.92 12.16 29.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.603 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 1.1 p80 50.22 33.14 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.603 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -86.6 103.57 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.49 ' HB3' ' CD ' ' A' ' 14' ' ' LYS . 4.7 mmm180 -58.58 156.18 11.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.603 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 85.5 m-85 -149.48 134.37 17.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -90.42 -0.74 57.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -130.27 125.25 34.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.572 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 68.5 p -58.53 -35.2 71.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.02 -44.3 55.33 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.6 m -56.0 -51.39 67.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.718 0.295 . . . . 0.0 111.119 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.4 ttp -53.44 -60.11 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -53.04 -37.16 61.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.6 mtm -76.59 -16.89 59.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.518 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 49.1 t60 -84.73 -45.55 12.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.66 -25.67 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.936 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -94.89 -7.97 38.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.417 ' C ' ' HE2' ' A' ' 38' ' ' LYS . 7.1 mm100 -99.67 -42.91 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.518 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 10.4 mmpt? -95.06 -35.36 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.743 ' O ' HG12 ' A' ' 43' ' ' VAL . 54.2 m-70 -114.96 42.11 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 t -54.75 -38.94 67.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 12.6 pt-20 -99.86 -48.62 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.459 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 5.3 m-80 -38.4 -40.13 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 39' ' ' HIS . 7.2 p -75.65 152.21 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.84 -59.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -94.7 128.66 41.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.473 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 17.3 m-85 -90.86 159.24 16.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 46' ' ' PHE . 29.3 m-70 -151.24 118.05 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.1 t -38.52 132.98 1.02 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 1.66 4.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -118.37 -67.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.3 p -103.37 -176.35 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.88 91.19 5.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 m -142.25 117.45 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.07 128.91 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.543 HG22 ' O ' ' A' ' 57' ' ' ARG . 51.6 mm -118.78 76.91 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.525 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -26.84 -72.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.543 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.8 ptm180 -98.47 140.59 32.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 61' ' ' LEU . 13.7 tttp -55.78 -51.25 68.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 94.4 p -40.41 -33.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.44 ' HB3' HG23 ' A' ' 55' ' ' ILE . 10.1 t0 -73.87 -38.29 64.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.493 ' CA ' HG21 ' A' ' 55' ' ' ILE . 35.1 tp -37.08 -50.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.02 -60.81 8.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.414 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 97.1 t -42.38 -40.11 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -71.78 -38.44 70.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.0 mt -67.09 -33.89 76.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -88.75 -30.83 18.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 19.3 mmmt -74.9 -65.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -66.73 -48.09 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -107.59 179.25 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.0 m -106.64 95.43 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.902 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 25' ' ' PHE . 54.5 mttp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.55 0.691 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.0 Cg_endo -69.74 -1.31 8.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.638 2.226 . . . . 0.0 112.39 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 59.5 m-85 -126.38 160.63 29.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -167.51 140.43 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.5 t -69.48 128.26 35.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -85.32 18.83 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.767 HD12 HG23 ' A' ' 35' ' ' ILE . 72.9 mt -115.71 -54.36 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -109.14 -3.34 17.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 68.63 35.2 3.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.587 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -92.26 107.43 19.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 mmm-85 -58.41 157.33 8.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 80.2 m-85 -149.94 118.57 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 t -60.51 -18.3 51.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -129.58 157.86 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 79.7 p -80.68 -44.41 18.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.11 -46.24 79.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.441 HG22 ' CD1' ' A' ' 25' ' ' PHE . 77.7 m -58.87 -46.11 88.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.179 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.515 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 34.2 ttp -61.48 -56.49 19.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -47.63 -48.41 28.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.449 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 8.8 mtm -64.64 -31.48 72.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.436 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 42.1 t60 -68.89 -38.97 80.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.767 HG23 HD12 ' A' ' 20' ' ' ILE . 41.5 mt -71.27 -29.5 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.631 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -93.86 -9.0 38.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 33' ' ' MET . 10.0 mm100 -101.74 -39.84 7.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 31.4 mmtt -97.72 -32.64 11.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.517 ' CD2' HD12 ' A' ' 20' ' ' ILE . 62.0 m-70 -117.91 50.48 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.9 t -71.86 -33.58 68.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -86.24 -31.2 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -78.22 47.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.7 p -173.47 146.12 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.13 -57.63 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -80.66 135.1 35.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.59 ' CE1' ' HA ' ' A' ' 57' ' ' ARG . 60.8 m-85 -108.5 148.14 30.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -134.51 136.31 43.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.7 t -64.71 129.33 94.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 4.47 2.2 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -117.38 -72.59 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.4 p -99.01 171.04 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.99 77.92 8.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.2 m -129.65 150.63 50.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -95.53 139.84 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.609 HG21 ' CA ' ' A' ' 61' ' ' LEU . 26.9 mm -125.06 130.88 73.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.53 -74.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.59 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -134.7 179.97 5.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -49.64 -68.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.438 ' N ' ' HD3' ' A' ' 57' ' ' ARG . 1.4 t -40.98 -42.87 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.424 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 3.0 t70 -60.94 -43.37 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.609 ' CA ' HG21 ' A' ' 55' ' ' ILE . 54.2 tp -36.91 -54.37 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -47.08 -63.42 3.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 93.9 t -37.14 -47.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.92 0.39 . . . . 0.0 111.147 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.541 ' CG ' HD11 ' A' ' 55' ' ' ILE . 57.4 t60 -63.52 -38.81 92.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 62' ' ' GLY . 24.0 mt -67.12 -42.6 84.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 66' ' ' ARG . 6.7 mpt_? -76.03 -31.07 58.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -73.37 -76.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.06 -50.44 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -102.77 179.98 4.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 76.4 p -123.63 96.55 5.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.853 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' C ' ' A' ' 25' ' ' PHE . 41.2 mttp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.539 0.685 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 0.92 4.96 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.485 ' CE1' ' OG ' ' A' ' 28' ' ' SER . 65.5 m-85 -129.58 158.11 40.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -169.06 145.37 3.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.9 t -71.09 131.46 43.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -88.14 15.45 7.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.574 HD12 HG23 ' A' ' 35' ' ' ILE . 89.6 mt -112.74 -53.8 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.138 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 31.2 p -107.94 -7.88 16.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.416 ' CD2' ' C ' ' A' ' 21' ' ' CYS . 19.9 m-70 74.68 29.02 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.595 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -84.66 108.26 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -60.04 159.94 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 86.8 m-85 -153.41 122.86 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 t -65.27 -15.71 62.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -131.61 149.33 52.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.485 ' OG ' ' CE1' ' A' ' 16' ' ' TYR . 1.3 t -72.44 -37.14 68.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.17 -50.87 59.48 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.412 HG22 ' CD1' ' A' ' 25' ' ' PHE . 98.1 m -53.44 -41.87 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 111.15 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.49 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 15.3 ttp -67.04 -53.17 33.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 49' ' ' PRO . 16.6 mtmt -48.4 -45.11 35.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.419 ' SD ' ' CB ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -66.55 -39.8 88.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -59.86 -38.11 81.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.574 HG23 HD12 ' A' ' 20' ' ' ILE . 40.6 mt -70.5 -32.36 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.755 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -92.59 -8.01 45.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -99.44 -42.67 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -96.68 -35.31 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.407 ' CD2' HD12 ' A' ' 20' ' ' ILE . 59.5 m-70 -113.76 50.34 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 t -70.52 -30.81 67.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -102.9 -28.02 12.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -76.2 47.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -167.08 148.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.14 -60.39 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HB2' HG13 ' A' ' 54' ' ' VAL . 2.9 ptmm? -89.08 133.0 34.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 57' ' ' ARG . 30.6 m-85 -101.06 107.75 19.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.647 ' NE2' HG22 ' A' ' 54' ' ' VAL . 2.8 m170 -88.68 131.82 34.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.7 t -61.68 137.54 95.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.419 ' CB ' ' SD ' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.71 -32.22 19.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.543 ' NE2' ' CD2' ' A' ' 65' ' ' LEU . 7.8 m-70 -79.44 -67.1 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.74 172.33 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.33 79.79 5.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.6 m -130.98 131.88 44.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.647 HG22 ' NE2' ' A' ' 47' ' ' HIS . 62.6 t -78.39 136.01 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.571 HG21 ' CA ' ' A' ' 61' ' ' LEU . 14.2 mm -126.57 125.27 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -37.65 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HA ' ' CD1' ' A' ' 46' ' ' PHE . 5.2 ptp85 -133.74 179.63 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.469 ' HE2' HD13 ' A' ' 36' ' ' LEU . 23.2 tptp -53.88 -62.01 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.9 p -42.4 -35.42 1.02 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.98 -38.12 66.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.571 ' CA ' HG21 ' A' ' 55' ' ' ILE . 53.9 tp -45.7 -61.34 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -37.68 -63.56 0.84 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.44 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.1 t -39.86 -45.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 111.103 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -66.6 -33.35 75.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.803 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.543 ' CD2' ' NE2' ' A' ' 50' ' ' HIS . 19.1 mt -70.3 -41.88 72.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -76.59 -32.3 58.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -75.85 -75.17 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -57.79 -49.25 77.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.972 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -105.94 178.24 4.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 90.0 p -115.95 100.56 8.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.892 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mptt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.593 0.711 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.65 3.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.362 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -134.15 156.9 47.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -160.8 147.86 15.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.1 t -79.37 125.56 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -82.73 18.87 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.6 HD12 ' CD2' ' A' ' 39' ' ' HIS . 75.0 mt -116.53 -51.58 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 30.5 p -114.57 3.75 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.2 m170 63.88 30.39 14.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.502 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -82.56 114.89 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -73.17 143.07 47.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 90.1 m-85 -137.03 130.77 31.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.765 HG23 ' HG3' ' A' ' 27' ' ' GLN . 7.8 t -71.54 -21.55 61.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.765 ' HG3' HG23 ' A' ' 26' ' ' THR . 66.0 mt-30 -126.37 155.17 42.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.2 p -77.98 -32.73 51.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.14 -51.17 55.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.3 m -56.51 -45.69 80.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.15 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.549 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 59.9 ttp -59.95 -57.67 11.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 33.4 mttm -47.66 -48.08 29.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.476 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -63.73 -27.22 69.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.552 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 42.7 t60 -75.96 -37.95 58.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 20' ' ' ILE . 58.3 mt -71.71 -27.76 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -94.97 -10.59 30.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 33' ' ' MET . 19.3 mm-40 -101.64 -37.03 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.552 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 29.7 mmtt -99.05 -30.97 12.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.6 ' CD2' HD12 ' A' ' 20' ' ' ILE . 62.0 m-70 -121.06 48.29 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.0 t -65.51 -41.04 93.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -94.33 -23.22 17.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -82.5 43.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.407 HG22 ' N ' ' A' ' 44' ' ' ALA . 4.1 p -159.52 152.85 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.407 ' N ' HG22 ' A' ' 43' ' ' VAL . . . -94.25 -67.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -88.79 145.21 25.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 11.1 m-85 -110.12 101.84 10.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' CYS . 16.0 m-70 -83.57 108.56 16.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' HIS . 30.1 t -37.81 137.48 0.7 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 32' ' ' LYS . 53.8 Cg_endo -69.78 10.58 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -132.06 -67.45 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.9 p -105.64 179.83 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -91.74 80.16 5.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.7 m -135.04 118.59 16.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.5 t -71.88 136.13 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 57' ' ' ARG . 37.7 mm -124.01 82.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -29.65 -71.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.687 ' O ' HG22 ' A' ' 55' ' ' ILE . 23.3 ptt180 -100.51 149.6 23.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.583 ' HG2' ' CE2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -68.43 -46.74 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 p -40.76 -30.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' LEU . 1.6 t70 -83.67 -37.48 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' LYS . 47.9 tp -38.05 -53.72 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -49.95 -58.21 8.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.523 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.5 t -44.9 -43.27 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 111.164 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.401 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 56.3 t60 -69.07 -38.77 79.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.407 HD22 ' CE2' ' A' ' 71' ' ' TYR . 16.2 mt -68.74 -21.91 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -93.78 -42.97 8.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -73.56 -72.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.401 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 11.4 mm-40 -57.41 -48.65 78.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -104.86 171.0 7.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.6 t -102.94 97.4 7.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.407 ' CE2' HD22 ' A' ' 65' ' ' LEU . 9.6 m-85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.962 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.474 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 49.1 mttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 4.25 2.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 68.7 m-85 -133.85 166.1 23.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -175.05 139.76 0.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.8 t -69.82 124.19 23.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -81.76 18.63 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.548 HD12 HG23 ' A' ' 35' ' ' ILE . 58.7 mt -116.48 -52.85 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 32.0 p -111.99 2.58 16.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 65.91 26.98 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.551 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -79.97 102.73 9.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.474 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 5.5 mmt85 -61.75 152.96 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 81.5 m-85 -146.08 131.56 18.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.617 HG23 ' HG2' ' A' ' 27' ' ' GLN . 6.2 t -74.18 -16.55 60.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.617 ' HG2' HG23 ' A' ' 26' ' ' THR . 14.5 mm-40 -133.87 150.95 51.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 95.6 p -72.02 -50.51 27.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.75 -39.3 16.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.9 m -69.76 -47.29 63.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 111.137 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.454 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 28.9 ttp -59.21 -52.36 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -57.65 -38.9 75.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.423 ' HG3' ' CB ' ' A' ' 49' ' ' PRO . 9.6 mtm -72.7 -15.92 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 46.7 t60 -85.95 -43.31 13.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.548 HG23 HD12 ' A' ' 20' ' ' ILE . 60.3 mt -63.71 -26.42 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.14 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.947 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -93.73 -8.19 41.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.428 ' C ' ' HE2' ' A' ' 38' ' ' LYS . 53.5 mt-30 -100.18 -42.39 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.563 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 10.7 mmpt? -94.84 -34.7 12.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.545 ' CD2' HD12 ' A' ' 20' ' ' ILE . 43.9 m-70 -115.79 45.44 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 t -61.23 -39.26 89.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -100.29 -28.38 13.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -77.67 50.44 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 39' ' ' HIS . 5.7 p -165.63 149.64 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.93 -58.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.629 ' HE3' HG11 ' A' ' 54' ' ' VAL . 14.4 tttp -88.04 129.45 35.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -100.69 150.2 23.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -133.39 138.04 46.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.411 ' C ' ' H ' ' A' ' 50' ' ' HIS . 38.9 t -65.74 129.85 94.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.423 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.77 10.43 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.433 ' NE2' ' CD2' ' A' ' 65' ' ' LEU . 20.6 m-70 -124.45 -71.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.6 p -105.39 164.2 12.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -75.7 78.7 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.3 m -128.06 137.05 52.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.629 HG11 ' HE3' ' A' ' 45' ' ' LYS . 95.0 t -89.56 140.67 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.488 HG21 ' N ' ' A' ' 61' ' ' LEU . 25.6 mm -128.94 133.09 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.9 -72.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 ptt-85 -122.13 -178.74 3.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' LEU . 12.0 tptm -62.13 -63.32 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.1 m -38.95 -42.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.02 -44.09 97.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.488 ' N ' HG21 ' A' ' 55' ' ' ILE . 63.2 tp -39.87 -45.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -54.17 -63.31 5.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.8 t -37.82 -44.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 111.092 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -68.33 -37.79 80.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' GLY . 14.8 mt -63.06 -40.49 97.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -81.62 -35.95 29.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -67.98 -61.93 1.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -72.22 -50.32 28.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -107.85 177.74 4.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.0 m -106.48 95.53 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.896 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 33.0 mttt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.569 0.699 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -1.65 8.79 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 63.6 m-85 -127.68 159.34 35.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.94 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -169.22 143.83 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' HG12 ' A' ' 35' ' ' ILE . 20.3 t -75.9 122.66 24.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -81.21 19.09 0.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.443 HD12 ' CD2' ' A' ' 39' ' ' HIS . 77.8 mt -117.71 -51.9 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 30.1 p -111.28 2.25 17.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 63.67 33.49 13.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.514 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -89.05 106.99 18.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 12.7 mmt85 -65.51 150.58 48.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 96.5 m-85 -145.75 139.75 26.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.479 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 9.0 t -99.88 17.21 21.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.127 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -147.4 111.22 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.498 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 78.9 p -45.29 -39.29 6.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.67 -44.55 81.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.8 m -58.22 -54.58 45.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.34 . . . . 0.0 111.127 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 26.2 ttp -50.37 -56.79 9.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -54.29 -45.84 72.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.415 ' HG3' ' CB ' ' A' ' 49' ' ' PRO . 8.6 mtm -64.6 -23.57 67.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.532 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 50.8 t60 -78.49 -45.78 21.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.404 HG23 HD12 ' A' ' 20' ' ' ILE . 59.7 mt -61.97 -25.09 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.761 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -95.68 -7.28 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.434 ' C ' ' HE2' ' A' ' 38' ' ' LYS . 19.5 mm-40 -100.8 -43.07 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 10.7 mmpt? -94.37 -34.3 12.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.451 ' O ' HG12 ' A' ' 43' ' ' VAL . 35.6 m-70 -116.48 42.48 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.7 t -56.25 -38.74 71.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -99.35 -30.51 12.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -77.15 57.34 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 39' ' ' HIS . 3.8 p -170.1 147.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.26 -68.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -83.03 135.75 34.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -101.29 101.86 12.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -84.63 126.09 33.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.5 t -55.35 134.38 69.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.66 0.743 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.415 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.77 7.31 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -126.36 -72.38 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.9 p -97.23 169.25 9.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.5 69.49 10.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.8 m -122.26 139.33 53.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -89.4 138.42 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.575 HG21 ' N ' ' A' ' 61' ' ' LEU . 21.5 mm -126.5 129.81 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.94 -76.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.25 175.01 7.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.688 ' HE2' HD13 ' A' ' 36' ' ' LEU . 26.8 tptp -54.06 -66.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' LYS . 14.9 p -36.87 -41.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.77 -43.3 96.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.575 ' N ' HG21 ' A' ' 55' ' ' ILE . 58.8 tp -40.12 -53.36 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -45.49 -58.73 5.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.404 HG13 ' HD3' ' A' ' 67' ' ' LYS . 96.1 t -41.96 -44.34 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 111.116 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.406 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 55.9 t60 -67.94 -33.39 74.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' GLY . 26.9 mt -73.95 -26.61 60.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -88.38 -39.95 13.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -75.55 -74.18 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.406 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 4.2 mm100 -56.5 -47.13 79.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -106.39 173.34 6.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.4 t -113.13 103.59 11.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.863 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 25' ' ' PHE . 38.5 mttp . . . . . 0 C--O 1.23 0.056 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.726 2.284 . . . . 0.0 112.29 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 71.9 m-85 -132.44 156.09 47.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -165.72 139.51 4.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -71.73 123.55 22.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -81.84 16.34 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.597 HG21 ' CE1' ' A' ' 39' ' ' HIS . 86.8 mt -111.94 -49.29 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 31.9 p -117.14 1.56 12.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 66.55 30.79 8.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.594 ' O ' ' CE2' ' A' ' 25' ' ' PHE . . . -83.85 105.07 14.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 6.8 mmt85 -62.55 154.07 29.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 23' ' ' ALA . 95.9 m-85 -151.17 128.5 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.608 HG23 ' HG3' ' A' ' 27' ' ' GLN . 6.9 t -71.78 -17.37 62.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.608 ' HG3' HG23 ' A' ' 26' ' ' THR . 67.4 mt-30 -126.92 158.04 37.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 94.1 p -82.06 -48.67 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -51.8 -43.19 54.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -64.23 -44.49 91.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.347 . . . . 0.0 111.166 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.462 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 40.0 ttp -66.07 -55.56 15.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -47.25 -45.84 23.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.491 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 8.4 mtm -65.11 -40.13 94.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.464 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 27.6 t60 -60.76 -36.36 78.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.568 HG23 HD12 ' A' ' 20' ' ' ILE . 42.3 mt -70.86 -34.66 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.508 HD13 ' HE3' ' A' ' 58' ' ' LYS . 1.4 pp -90.56 -11.69 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -96.81 -37.15 10.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 30.9 mmtt -99.77 -35.57 9.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.597 ' CE1' HG21 ' A' ' 20' ' ' ILE . 59.4 m-70 -115.42 46.01 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 36' ' ' LEU . 1.1 t -59.5 -39.46 83.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -93.93 -31.33 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -77.87 54.33 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 39' ' ' HIS . 6.9 p -170.62 146.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.17 -68.06 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -80.96 133.66 35.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 57' ' ' ARG . 57.1 m-85 -100.45 101.73 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -83.65 129.98 34.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.4 t -57.52 135.07 82.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -21.43 33.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.391 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.721 ' NE2' HD22 ' A' ' 65' ' ' LEU . 16.9 m-70 -92.49 -67.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 p -105.0 178.97 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.29 81.18 3.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.7 m -133.26 141.42 48.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.0 t -84.22 137.02 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.645 HG21 ' HA ' ' A' ' 61' ' ' LEU . 17.2 mm -128.0 128.68 69.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.53 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.563 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 13.2 ptm180 -135.7 -176.77 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.508 ' HE3' HD13 ' A' ' 36' ' ' LEU . 13.4 tptm -54.52 -68.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' LYS . 7.7 m -38.08 -44.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -41.06 98.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.645 ' HA ' HG21 ' A' ' 55' ' ' ILE . 20.6 tp -45.13 -61.85 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' LEU . . . -36.43 -59.25 1.03 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.7 t -41.78 -45.13 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.402 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 59.9 t60 -71.73 -41.03 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.721 HD22 ' NE2' ' A' ' 50' ' ' HIS . 35.2 mt -65.75 -23.7 66.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -93.74 -42.02 9.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 2.6 mptt -70.66 -71.83 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.402 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 31.9 mm-40 -59.89 -48.29 82.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -103.59 -175.57 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.9 m -104.59 103.97 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.669 ' CE2' HD13 ' A' ' 65' ' ' LEU . 4.7 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 6.3 mptt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.637 0.732 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.9 Cg_endo -69.76 2.97 3.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.716 2.278 . . . . 0.0 112.364 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 81.1 m-85 -135.32 154.28 51.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -162.93 141.3 8.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 t -73.09 123.65 24.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -83.23 16.46 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.71 HG21 ' CE1' ' A' ' 39' ' ' HIS . 90.4 mt -112.97 -51.42 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.468 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 13.1 p -110.1 -10.78 14.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.468 ' CD2' ' C ' ' A' ' 21' ' ' CYS . 16.1 m-70 74.86 37.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.605 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -97.32 107.11 19.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -58.94 156.17 12.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 87.2 m-85 -150.25 130.23 13.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -86.7 3.39 45.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -136.0 122.73 21.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 89.8 p -56.28 -37.58 70.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.98 -51.9 36.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.8 m -50.43 -51.54 45.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.402 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.7 ttp -52.4 -61.09 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -51.24 -38.57 53.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.488 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 21.8 mtm -71.5 -21.61 61.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.456 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 35.9 t60 -82.25 -39.78 22.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.441 HG23 HD12 ' A' ' 20' ' ' ILE . 71.5 mt -67.5 -30.32 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.834 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -89.52 -7.31 55.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 33' ' ' MET . 54.3 mt-30 -102.15 -41.96 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 29.8 mmtt -97.66 -30.68 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.819 ' O ' HG12 ' A' ' 43' ' ' VAL . 61.1 m-70 -119.97 46.03 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.469 ' CB ' ' HZ3' ' A' ' 58' ' ' LYS . 3.4 t -64.21 -34.11 77.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 19.2 pt-20 -89.44 -49.6 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 6.0 t-20 -42.2 -45.75 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.819 HG12 ' O ' ' A' ' 39' ' ' HIS . 3.1 p -73.77 144.26 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.23 -63.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.68 ' HE3' HG11 ' A' ' 54' ' ' VAL . 15.5 tttp -93.01 141.62 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.594 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 10.6 m-85 -102.39 146.71 27.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.532 ' CE1' HG22 ' A' ' 54' ' ' VAL . 31.6 m-70 -137.64 134.89 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.4 ' C ' ' H ' ' A' ' 50' ' ' HIS . 44.3 t -58.43 125.68 76.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 9.82 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.377 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.4 ' H ' ' C ' ' A' ' 48' ' ' CYS . 40.7 m-70 -123.48 -71.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.3 p -107.51 177.92 4.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -83.03 85.65 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.4 m -136.09 112.12 9.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.68 HG11 ' HE3' ' A' ' 45' ' ' LYS . 96.6 t -74.14 133.66 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.4 mm -122.28 136.21 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.68 -70.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.47 158.03 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.594 ' HG2' ' CE2' ' A' ' 46' ' ' PHE . 0.7 OUTLIER -65.31 -50.49 65.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -40.93 -31.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.01 -38.12 16.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 58' ' ' LYS . 58.8 tp -38.48 -51.67 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -49.6 -57.84 9.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.3 t -40.94 -42.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 111.144 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.466 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 54.3 t60 -69.48 -38.71 77.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.683 HD22 ' CE1' ' A' ' 71' ' ' TYR . 20.8 mt -70.33 -28.43 65.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.3 mtm-85 -85.59 -42.89 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -71.73 -74.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.466 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 38.3 mm-40 -56.35 -49.09 75.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -106.86 -176.92 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.5 m -104.25 106.41 16.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.683 ' CE1' HD22 ' A' ' 65' ' ' LEU . 12.4 m-85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -169.04 108.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 p -136.57 175.54 9.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.91 116.49 0.38 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -153.91 139.78 18.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.8 p -117.79 151.0 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.63 85.11 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -141.5 110.92 6.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 78.2 m -130.13 130.51 44.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -156.29 117.92 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.819 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.9 p -58.73 130.35 46.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.24 117.0 4.16 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.553 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -106.69 131.66 53.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.913 0.387 . . . . 0.0 110.903 -179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -150.94 104.98 3.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 2.86 3.19 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.633 2.222 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 61.1 m-85 -130.91 155.84 46.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -163.27 145.08 9.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.3 t -79.6 124.57 28.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -83.11 16.91 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.737 HD12 HG23 ' A' ' 35' ' ' ILE . 78.7 mt -113.93 -47.87 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 30.8 p -116.54 -6.62 11.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 73.65 27.12 1.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.584 ' O ' ' CE2' ' A' ' 25' ' ' PHE . . . -83.05 108.41 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -63.23 156.13 26.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 23' ' ' ALA . 97.2 m-85 -151.65 135.21 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -90.53 0.84 57.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -131.72 129.06 40.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 93.9 p -61.67 -34.54 75.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.58 -48.34 29.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.53 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.3 m -53.74 -48.59 69.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.147 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.423 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.4 ttp -56.15 -61.85 2.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -47.4 -42.87 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.488 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 15.4 mtm -69.28 -28.08 65.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.418 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 33.7 t60 -73.0 -41.69 64.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.737 HG23 HD12 ' A' ' 20' ' ' ILE . 55.3 mt -65.83 -30.02 48.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.56 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -92.29 -9.68 41.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -97.06 -41.19 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 35.5 mmtt -97.58 -32.32 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' CE1' ' CG2' ' A' ' 20' ' ' ILE . 50.2 m-70 -118.89 57.8 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.4 t -77.61 -30.98 52.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -97.3 -25.08 15.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -85.21 44.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 45' ' ' LYS . 3.4 p -160.98 133.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.41 -61.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.51 ' NZ ' HG11 ' A' ' 54' ' ' VAL . 26.8 mmtt -85.01 145.4 27.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' ' HA ' ' A' ' 57' ' ' ARG . 55.8 m-85 -112.63 134.46 54.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -116.39 142.3 47.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.3 t -68.47 126.94 93.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.426 ' NE2' HD21 ' A' ' 65' ' ' LEU . 28.0 m-70 -116.3 -71.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 p -103.41 174.55 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -89.22 91.29 8.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.6 m -145.86 142.54 28.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.51 HG11 ' NZ ' ' A' ' 45' ' ' LYS . 74.2 t -84.0 142.72 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.8 mm -130.41 122.61 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -41.0 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.586 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 1.3 ptm180 -131.57 172.0 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 6.3 ttmt -52.44 -61.29 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.3 p -41.72 -38.42 1.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.45 -41.11 85.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.0 tp -39.79 -57.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -41.23 -53.31 4.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.8 t -49.09 -46.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -66.51 -39.09 88.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 71' ' ' TYR . 16.7 mt -65.9 -25.57 67.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -91.45 -41.27 10.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -71.69 -74.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -59.46 -49.84 76.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -103.22 -177.04 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.3 t -117.8 92.68 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.471 ' CD1' HD22 ' A' ' 65' ' ' LEU . 11.3 m-85 -128.75 87.83 2.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 t -160.27 160.79 33.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.92 136.54 35.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 84.97 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 m -119.62 139.64 51.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 74.8 m -88.49 85.17 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.519 -179.963 . . . . . . . . 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 1.452 -0.274 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -167.33 138.68 3.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.906 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -151.6 172.41 16.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.72 112.54 1.32 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 p -170.05 149.04 3.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.1 t -121.67 153.44 38.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.89 70.85 0.19 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -85.46 41.86 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.7 p -43.02 110.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -63.25 85.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -98.18 114.78 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.93 62.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.438 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 5.6 tt0 -85.63 -40.34 16.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HD2' ' C ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -150.33 105.92 3.14 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.1 Cg_endo -69.74 3.18 2.91 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.371 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 76.4 m-85 -134.56 157.24 47.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -162.73 139.82 7.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.7 t -73.49 124.48 25.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -82.47 19.33 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.705 HD12 HG23 ' A' ' 35' ' ' ILE . 74.4 mt -116.53 -51.48 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 27.1 p -114.03 3.05 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 62.72 32.97 15.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.523 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -87.52 112.58 22.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -66.9 149.57 50.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 86.5 m-85 -144.36 140.24 28.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.9 t -98.47 16.79 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -150.21 118.48 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 85.2 p -50.34 -38.46 42.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.22 -50.7 43.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.2 m -51.7 -51.81 53.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.821 0.343 . . . . 0.0 111.139 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.8 ttp -54.23 -62.32 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -45.78 -46.29 15.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.485 ' HA ' HD23 ' A' ' 36' ' ' LEU . 10.2 mtm -65.03 -39.26 93.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -62.09 -38.92 90.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.705 HG23 HD12 ' A' ' 20' ' ' ILE . 45.3 mt -69.42 -30.84 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.656 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -92.05 -8.4 46.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -99.42 -41.98 7.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -98.11 -30.7 12.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.776 ' O ' HG12 ' A' ' 43' ' ' VAL . 57.2 m-70 -119.36 48.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 t -66.09 -31.3 72.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 12.1 pt-20 -92.2 -50.19 5.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.401 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 4.7 t-20 -46.7 -44.13 18.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.776 HG12 ' O ' ' A' ' 39' ' ' HIS . 7.4 p -69.3 147.85 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.99 -64.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -94.55 132.2 39.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -91.51 103.74 16.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -90.19 115.18 27.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.5 t -41.93 134.6 2.32 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 0.64 5.34 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.617 ' CD2' ' CD2' ' A' ' 65' ' ' LEU . 35.6 m-70 -118.34 -70.25 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.3 p -101.2 -178.57 3.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -97.36 75.07 2.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 m -125.6 121.78 34.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.1 t -72.58 125.66 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.1 mm -118.2 137.92 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.17 -75.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.051 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.42 117.53 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -47.87 -51.32 23.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.1 t -56.14 -48.05 77.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 61' ' ' LEU . 4.9 m-20 -48.35 -41.66 29.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' ASP . 68.0 tp -37.19 -44.66 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.11 -51.51 57.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.512 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.6 t -48.38 -40.95 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 58.6 t60 -69.53 -32.01 70.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.617 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 18.0 mt -73.33 -33.96 65.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -87.33 -27.63 22.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -79.4 -66.86 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.537 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 18.3 mm-40 -65.17 -46.82 79.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -107.62 167.57 9.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.6 t -89.31 98.81 11.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -134.99 28.07 3.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -107.16 101.7 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.64 65.82 0.47 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.84 3.19 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.672 2.248 . . . . 0.0 112.321 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.0 t 72.5 41.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.2 m -65.67 166.68 10.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.533 179.991 . . . . . . . . 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 -0.327 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 3' ' ' SER . 4.0 t -101.06 134.56 43.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 110.849 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 2' ' ' SER . 22.6 t -34.93 135.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.79 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.63 -75.56 0.42 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p -79.51 160.81 26.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -127.37 -49.09 1.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.12 164.85 15.08 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.1 mmm-85 -96.36 141.31 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.5 p -136.37 154.76 50.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -74.54 137.97 42.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 m -128.04 151.76 48.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.76 179.39 36.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -127.29 116.39 20.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.398 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 86.2 mttt -145.72 104.97 4.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.549 0.69 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.1 Cg_endo -69.73 -0.23 6.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.311 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 64.2 m-85 -127.6 151.9 48.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -161.02 147.83 15.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 t -80.09 125.19 29.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -83.05 18.67 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.508 HD12 HG23 ' A' ' 35' ' ' ILE . 76.0 mt -116.12 -50.65 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 28.0 p -115.0 0.73 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 67.82 26.42 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -79.49 112.68 16.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -69.6 153.77 42.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.492 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 97.3 m-85 -149.07 130.96 15.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.474 HG23 ' HG3' ' A' ' 27' ' ' GLN . 2.0 t -74.85 -13.92 60.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.474 ' HG3' HG23 ' A' ' 26' ' ' THR . 91.1 mt-30 -132.48 160.37 36.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 79.5 p -83.4 -33.35 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.6 -44.72 94.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.5 m -65.37 -36.64 84.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.492 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 32.4 ttp -71.43 -54.28 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -50.83 -46.24 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.456 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 9.1 mtt -65.03 -33.04 75.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -69.19 -36.46 77.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.508 HG23 HD12 ' A' ' 20' ' ' ILE . 53.7 mt -73.97 -30.4 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -93.8 -7.89 42.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 33' ' ' MET . 13.3 mm-40 -101.75 -41.63 6.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -96.07 -33.87 11.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.559 ' O ' HG12 ' A' ' 43' ' ' VAL . 61.5 m-70 -116.37 45.21 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.3 t -63.04 -34.77 78.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -91.36 -34.95 14.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -79.78 44.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 39' ' ' HIS . 7.3 p -160.7 143.66 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.82 -54.13 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -83.83 109.98 17.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' ' HG2' ' A' ' 58' ' ' LYS . 75.7 m-85 -86.96 108.09 18.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -89.75 129.31 36.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.0 t -58.27 128.72 82.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 3.73 2.59 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.643 2.229 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -118.58 -71.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.7 p -103.22 -177.48 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -96.0 73.36 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.6 m -123.13 135.08 54.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.9 132.05 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.531 HG21 ' HA ' ' A' ' 61' ' ' LEU . 49.1 mm -122.13 123.04 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.24 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.412 ' HA ' ' CE2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -129.54 177.52 7.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.586 ' HG2' ' CE1' ' A' ' 46' ' ' PHE . 9.0 mmtp -59.41 -59.41 5.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.5 t -42.94 -28.33 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.64 -33.03 18.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.531 ' HA ' HG21 ' A' ' 55' ' ' ILE . 43.7 tp -43.14 -49.05 6.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -51.84 -60.88 6.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.447 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.423 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 93.8 t -38.04 -41.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -71.29 -38.09 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 62' ' ' GLY . 39.6 mt -67.62 -39.47 84.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -80.87 -32.46 34.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 16.7 mmtp -73.56 -68.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -66.1 -50.18 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -104.52 178.52 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.8 t -114.5 105.73 13.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -139.18 105.25 5.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.8 p -127.71 125.38 39.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -43.72 -69.33 0.69 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -178.8 2.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.624 2.216 . . . . 0.0 112.375 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.2 m -86.73 -43.09 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 m -131.17 -58.1 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.457 -179.995 . . . . . . . . 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 -0.303 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -168.91 130.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.384 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -171.99 168.5 5.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.69 87.61 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 38.9 t -77.06 -49.0 16.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 6.3 t -36.34 128.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.1 48.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.531 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 42.64 40.79 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 110.899 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.7 m -155.71 119.63 4.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -112.23 -53.31 2.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 m -158.99 157.59 31.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.81 -150.6 12.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 13' ' ' GLU . 1.0 OUTLIER -125.11 77.81 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.912 0.387 . . . . 0.0 110.854 -179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 30.7 mttp -142.15 106.58 5.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.702 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.8 Cg_endo -69.79 0.94 4.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.298 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 54.8 m-85 -128.16 154.77 45.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -161.21 140.08 10.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.0 t -74.29 124.97 27.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -82.8 18.8 1.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.514 HD12 ' CD2' ' A' ' 39' ' ' HIS . 75.3 mt -116.99 -51.92 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 31.7 p -112.03 -0.17 15.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 66.17 29.86 9.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -85.41 115.22 23.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.074 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.483 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 12.3 mmt85 -70.06 150.63 46.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -145.56 134.62 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.831 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.455 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 15.2 t -95.07 24.46 4.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -157.51 119.34 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 94.8 p -50.44 -41.12 52.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.68 -51.97 47.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.0 m -50.21 -51.58 42.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.167 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 18.9 ttp -52.96 -63.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -46.41 -46.24 18.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.501 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 12.6 mmm -64.89 -28.14 69.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -76.52 -35.88 58.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.434 HG23 HD12 ' A' ' 20' ' ' ILE . 64.8 mt -73.9 -29.54 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.891 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -93.67 -7.86 42.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 33' ' ' MET . 27.3 mm-40 -101.44 -41.86 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -95.92 -32.27 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.547 ' O ' HG12 ' A' ' 43' ' ' VAL . 61.6 m-70 -117.3 44.25 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 t -62.48 -35.07 78.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -94.99 -26.58 16.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -82.62 44.72 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 39' ' ' HIS . 4.9 p -164.33 138.28 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.25 -70.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 43' ' ' VAL . 34.1 mmtm -85.55 160.73 19.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -119.72 161.36 20.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -136.58 129.88 31.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.4 t -58.96 129.52 85.83 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 6.59 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.338 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.495 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 43.2 m-70 -122.98 -71.74 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.1 p -103.94 -179.56 3.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.27 84.29 5.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.5 m -136.2 110.07 8.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.1 129.56 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.8 mm -119.59 143.83 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.54 -73.21 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -73.22 123.38 23.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -55.41 -55.13 35.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.5 m -46.11 -36.53 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' LEU . 72.6 m-20 -68.67 -40.13 80.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 60' ' ' ASP . 66.8 tp -37.45 -47.76 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.14 -50.76 57.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.526 HG12 ' HG3' ' A' ' 67' ' ' LYS . 97.0 t -52.05 -39.44 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 51.1 t60 -71.76 -31.58 66.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 mt -71.76 -33.18 68.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -90.05 -35.92 15.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.526 ' HG3' HG12 ' A' ' 63' ' ' VAL . 6.3 mmpt? -68.42 -53.03 26.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.564 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 37.1 mm-40 -81.02 -50.28 9.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 50' ' ' HIS . 30.2 m-70 -106.05 167.5 9.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.9 m -87.95 115.75 25.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -148.36 142.57 26.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.3 m -115.14 142.23 46.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -47.86 165.12 0.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 103.42 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.741 2.294 . . . . 0.0 112.364 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -92.79 99.44 12.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.8 t -85.6 122.16 29.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.478 -179.974 . . . . . . . . 0 0 . 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 1.452 -0.293 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m -152.89 163.06 40.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -93.99 -50.21 5.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.67 119.97 1.67 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 p -120.13 123.27 42.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 p -158.76 152.51 23.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.46 52.11 0.4 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -76.98 155.43 32.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.0 m -134.94 138.82 44.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.443 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 40.5 t60 -117.71 83.53 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.1 p -119.39 158.77 25.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.55 -172.2 20.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -125.22 -49.86 1.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.878 0.37 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 47.9 mttt -145.76 105.04 4.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.0 Cg_endo -69.74 3.94 2.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 60.1 m-85 -132.15 155.91 47.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -162.64 145.3 10.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.6 t -79.38 124.22 28.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -81.49 16.7 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.657 HD12 HG23 ' A' ' 35' ' ' ILE . 76.3 mt -114.8 -52.82 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 p -109.94 -8.03 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 72.5 30.23 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.588 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -86.91 108.89 18.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -61.57 153.58 27.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 92.5 m-85 -148.2 136.59 21.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 t -94.06 8.11 42.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -140.73 121.94 14.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 90.2 p -56.35 -34.17 66.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.0 -51.19 29.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.7 m -53.34 -49.92 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 111.177 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.442 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 17.6 ttp -54.57 -60.58 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -49.86 -38.0 33.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.498 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 12.6 mtm -74.34 -27.1 60.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -73.76 -39.76 63.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.657 HG23 HD12 ' A' ' 20' ' ' ILE . 50.8 mt -70.61 -26.99 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.698 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -94.93 -8.08 38.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 33' ' ' MET . 51.4 mt-30 -99.98 -41.77 7.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.97 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -98.47 -34.91 10.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.515 ' O ' HG12 ' A' ' 43' ' ' VAL . 59.5 m-70 -113.5 46.39 1.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 t -65.52 -34.72 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -97.52 -24.59 15.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -81.74 39.84 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 39' ' ' HIS . 3.4 p -158.57 146.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.93 -57.51 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -87.7 136.57 32.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 58' ' ' LYS . 80.9 m-85 -104.36 141.52 36.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -123.5 136.7 54.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.5 t -65.75 129.23 94.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 2.54 3.45 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.539 ' CD2' ' CD2' ' A' ' 65' ' ' LEU . 36.0 m-70 -116.47 -72.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.3 p -102.94 177.23 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -90.56 76.65 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.6 m -128.7 124.98 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.28 136.45 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.526 HG13 HD12 ' A' ' 61' ' ' LEU . 23.1 mm -122.84 125.16 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.64 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.28 170.79 8.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 3.6 ttmm -63.53 -56.26 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.4 t -42.11 -36.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.12 -36.57 64.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.526 HD12 HG13 ' A' ' 55' ' ' ILE . 14.2 tp -43.04 -60.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -39.32 -58.46 2.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.1 t -42.52 -43.62 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -71.09 -39.19 72.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.539 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 28.2 mt -66.67 -28.04 68.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -89.93 -36.56 14.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -73.13 -71.76 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -61.4 -46.97 87.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -107.62 -175.86 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.545 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 39.8 t -109.61 130.61 55.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 70' ' ' SER . 10.7 m-85 -151.84 122.61 7.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 99.2 p -151.51 153.58 34.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.88 162.52 28.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 94.1 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.372 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.6 m -115.73 80.75 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 t -115.81 85.45 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.508 179.998 . . . . . . . . 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 -0.303 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m 64.69 43.77 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.371 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 m -128.39 169.35 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.26 -100.98 0.33 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.536 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m 57.3 44.58 21.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.872 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.8 p -52.14 140.4 21.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.69 151.56 6.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.1 mtt85 -132.59 170.32 15.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.918 0.39 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.9 p -122.58 117.05 24.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -93.73 81.75 4.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -114.77 -52.24 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.77 89.93 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -105.5 -41.29 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 110.93 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' N ' ' HG2' ' A' ' 13' ' ' GLU . 71.0 mttt -148.1 105.6 3.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -0.38 6.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.377 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 67.7 m-85 -128.11 150.62 49.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -160.48 142.8 12.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.9 t -76.29 123.28 25.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -82.65 18.42 1.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.613 HD12 HG23 ' A' ' 35' ' ' ILE . 79.1 mt -113.41 -49.15 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.436 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 30.2 p -117.16 -5.72 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.436 ' CD2' ' C ' ' A' ' 21' ' ' CYS . 17.4 m-70 73.81 30.15 1.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -85.56 107.13 17.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 20.5 mmt180 -63.22 156.07 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.525 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 83.2 m-85 -147.53 131.14 16.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.405 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -72.87 -16.23 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -131.32 167.07 19.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 76.4 p -86.69 -49.76 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -50.57 -45.08 47.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -61.25 -47.87 84.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 111.108 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.525 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 40.2 ttp -59.87 -55.46 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -50.18 -45.85 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.49 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -65.25 -33.01 74.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -68.96 -37.82 79.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.613 HG23 HD12 ' A' ' 20' ' ' ILE . 47.3 mt -72.58 -31.77 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -92.08 -8.15 46.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 33' ' ' MET . 12.5 mm100 -101.71 -41.48 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -95.96 -33.23 12.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.551 ' ND1' HG21 ' A' ' 20' ' ' ILE . 61.5 m-70 -117.45 44.29 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 t -60.23 -37.94 81.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -98.74 -24.63 14.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -81.47 41.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 44' ' ' ALA . 4.9 p -151.91 152.95 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.422 ' N ' HG22 ' A' ' 43' ' ' VAL . . . -92.29 -68.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HD3' HG21 ' A' ' 54' ' ' VAL . 37.2 mttm -92.45 140.25 29.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -106.1 102.06 11.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -83.42 116.34 22.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -44.87 136.32 4.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 5.25 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.518 ' CE1' ' HH ' ' A' ' 71' ' ' TYR . 48.1 m-70 -124.29 -65.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.9 p -106.99 -177.38 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.55 82.22 3.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.4 m -142.64 115.72 8.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.55 HG21 ' HD3' ' A' ' 45' ' ' LYS . 81.9 t -64.08 141.0 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 57' ' ' ARG . 38.1 mm -125.77 80.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -36.79 -72.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.59 ' O ' HG22 ' A' ' 55' ' ' ILE . 36.6 ttp85 -72.03 130.75 41.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -57.77 -66.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.5 t -39.68 -55.77 1.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -38.48 -40.12 0.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.428 ' CA ' HG21 ' A' ' 55' ' ' ILE . 65.7 tp -38.15 -49.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.04 -56.06 25.01 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.1 t -47.12 -44.83 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -67.78 -26.32 66.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.433 ' CD2' ' CD2' ' A' ' 50' ' ' HIS . 35.1 mt -78.14 -26.38 47.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -91.37 -32.65 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -77.0 -70.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -60.24 -45.95 91.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -109.19 -179.93 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.3 m -101.25 103.78 14.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.518 ' HH ' ' CE1' ' A' ' 50' ' ' HIS . 4.7 m-85 -132.13 41.33 3.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.0 t -117.17 41.83 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.28 113.05 5.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.03 41.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.4 m -75.24 107.23 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 t 52.06 42.64 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.815 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.507 179.998 . . . . . . . . 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 1.452 -0.267 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -75.33 157.8 33.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -95.73 135.49 37.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.827 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.41 -98.61 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 m -157.74 126.4 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -88.86 87.88 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.81 135.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.448 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.0 ptt-85 -69.92 140.08 53.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.6 m -76.48 136.88 39.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -127.46 115.14 18.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.2 m -122.77 169.33 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 13' ' ' GLU . . . 169.97 -133.34 2.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' GLY . 12.8 pt-20 -35.21 141.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.876 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 54.7 mttp -132.39 96.63 18.9 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.557 0.694 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.6 Cg_endo -69.77 4.86 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.374 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 73.7 m-85 -129.99 151.57 50.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 28.2 tt0 -163.59 148.71 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.427 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 43.6 t -78.95 126.96 31.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -84.43 14.57 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.635 HD12 HG23 ' A' ' 35' ' ' ILE . 90.4 mt -111.81 -52.4 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.2 p -109.3 -3.05 17.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 66.21 36.3 5.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.594 ' O ' ' CE2' ' A' ' 25' ' ' PHE . . . -94.85 107.97 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -60.08 161.05 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 23' ' ' ALA . 88.8 m-85 -153.22 126.48 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 t -71.45 -15.96 62.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -123.11 154.5 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 54.1 p -78.1 -53.77 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.45 -50.99 28.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.4 m -52.27 -50.2 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.731 0.3 . . . . 0.0 111.121 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.4 ttp -58.1 -62.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.453 ' CD ' ' O ' ' A' ' 28' ' ' SER . 0.4 OUTLIER -47.35 -47.41 25.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.429 ' HG3' ' CB ' ' A' ' 49' ' ' PRO . 32.1 mtm -63.44 -40.75 97.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -59.36 -38.63 80.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.635 HG23 HD12 ' A' ' 20' ' ' ILE . 32.5 mt -69.57 -32.68 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -91.88 -8.13 47.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -98.37 -38.85 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -101.94 -34.98 9.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.543 ' CE1' HG21 ' A' ' 20' ' ' ILE . 58.6 m-70 -114.0 50.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 t -69.69 -33.89 73.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.87 -32.8 12.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -75.45 50.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.4 p -170.28 144.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.15 -66.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -95.65 151.38 19.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -108.0 160.39 15.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -136.23 121.44 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.9 t -47.08 130.13 9.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.717 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.434 ' HA ' ' CB ' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.78 8.63 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 44.2 m-70 -124.2 -70.95 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.7 p -104.64 174.09 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -83.23 81.47 8.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.4 m -131.84 114.49 14.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 99.8 t -72.37 126.98 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.3 mm -119.59 143.55 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.61 -75.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -68.49 112.88 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -46.37 -46.95 18.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 t -52.59 -39.23 61.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.39 -39.04 88.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.0 tp -38.76 -42.43 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.85 -48.12 83.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.688 HG12 ' HD3' ' A' ' 67' ' ' LYS . 58.2 t -52.37 -43.05 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 111.109 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.557 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 59.5 t60 -68.81 -32.19 71.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.429 HD22 ' CE1' ' A' ' 71' ' ' TYR . 22.3 mt -73.18 -33.49 65.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -82.62 -35.88 26.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.688 ' HD3' HG12 ' A' ' 63' ' ' VAL . 3.2 mtpm? -72.73 -70.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.557 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 10.2 mm100 -62.46 -48.18 80.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 50' ' ' HIS . 28.5 m-70 -109.67 -176.24 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.4 t -110.84 102.43 10.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.429 ' CE1' HD22 ' A' ' 65' ' ' LEU . 5.9 m-85 -129.19 39.96 3.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.6 p -107.38 147.04 30.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.75 129.95 4.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -8.14 22.85 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.349 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.6 p -87.37 161.6 17.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.6 p -173.43 117.71 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.464 179.954 . . . . . . . . 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 -0.333 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -139.71 106.94 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -141.84 116.4 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.76 172.25 43.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -144.31 168.5 19.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.905 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -142.86 160.42 40.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.73 42.39 1.4 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -144.69 142.89 30.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.3 p -136.54 119.61 16.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -72.96 109.9 6.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.4 p -155.46 154.77 32.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.17 169.13 20.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.425 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 15.8 tp10 -84.31 33.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.946 0.403 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HD2' ' C ' ' A' ' 13' ' ' GLU . 1.6 mptt -156.22 107.88 2.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.565 0.698 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 0.64 5.4 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 63.3 m-85 -129.33 158.55 38.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -164.05 138.5 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 t -72.68 122.96 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -81.79 21.15 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.672 ' CD1' HG23 ' A' ' 35' ' ' ILE . 64.7 mt -117.93 -53.4 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 29.1 p -111.52 -0.21 16.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 67.9 31.19 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.507 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -85.56 112.94 21.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -70.41 144.16 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.456 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 91.4 m-85 -138.87 129.8 26.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.674 HG23 ' HG2' ' A' ' 27' ' ' GLN . 9.0 t -73.98 -18.14 60.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.153 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.674 ' HG2' HG23 ' A' ' 26' ' ' THR . 21.4 mm100 -127.37 146.7 50.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 97.4 p -67.71 -50.66 56.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.808 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.61 -55.53 10.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.9 m -50.46 -50.37 52.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.456 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 37.5 ttp -58.27 -61.92 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -44.84 -47.4 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.404 ' HG3' ' CB ' ' A' ' 49' ' ' PRO . 11.5 mtm -63.63 -37.21 86.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -63.07 -40.55 98.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.672 HG23 ' CD1' ' A' ' 20' ' ' ILE . 45.6 mt -68.02 -29.35 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.872 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -94.74 -8.08 38.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -99.83 -39.55 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -100.62 -34.14 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.899 ' O ' HG12 ' A' ' 43' ' ' VAL . 46.6 m-70 -114.52 41.4 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 t -56.87 -42.5 79.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 16.2 pt-20 -93.89 -49.01 6.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 6.5 m120 -40.78 -38.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.899 HG12 ' O ' ' A' ' 39' ' ' HIS . 7.3 p -80.07 149.74 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.78 -58.82 2.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -97.86 132.71 43.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.402 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 2.9 m-85 -92.08 161.54 14.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' CYS . 8.7 m-70 -150.65 116.91 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' HIS . 44.6 t -35.86 133.82 0.54 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.404 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.7 Cg_endo -69.79 5.39 1.73 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.574 ' CE1' ' HH ' ' A' ' 71' ' ' TYR . 41.5 m-70 -125.3 -68.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.0 p -99.59 176.08 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 16.7 p-10 -91.58 91.2 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.3 m -141.59 124.51 16.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.67 126.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.685 HG22 ' O ' ' A' ' 57' ' ' ARG . 51.5 mm -118.42 77.22 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -28.07 -74.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.685 ' O ' HG22 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -90.01 145.71 24.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 61' ' ' LEU . 12.0 tptp -55.54 -56.62 18.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 58' ' ' LYS . 4.2 m -36.74 -55.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -44.69 -42.95 8.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.47 ' N ' HG21 ' A' ' 55' ' ' ILE . 45.7 tp -36.93 -49.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.5 -54.06 39.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.697 HG12 ' HD3' ' A' ' 67' ' ' LYS . 94.6 t -48.37 -40.84 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.493 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 59.1 t60 -69.66 -38.07 76.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.25 -37.7 81.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -77.44 -36.79 52.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.697 ' HD3' HG12 ' A' ' 63' ' ' VAL . 3.6 mtpm? -73.36 -73.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.493 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 15.6 mm-40 -57.72 -49.41 76.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -107.81 -176.91 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 t -112.38 87.62 2.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.574 ' HH ' ' CE1' ' A' ' 50' ' ' HIS . 6.4 m-85 -124.82 65.4 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 t -159.49 158.91 32.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -122.14 173.03 15.77 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 167.4 24.58 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.8 p -97.57 171.97 8.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.6 t -74.87 -47.24 31.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.52 -179.988 . . . . . . . . 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 -0.333 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -139.95 176.56 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 110.836 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -116.13 126.42 53.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.822 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.31 176.09 24.27 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -62.01 156.56 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.366 . . . . 0.0 110.892 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -125.24 153.62 42.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.29 -125.4 1.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -117.27 158.87 23.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 11' ' ' SER . 91.2 m -119.51 136.72 54.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 86.4 t60 -103.22 42.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.423 ' H ' HG22 ' A' ' 9' ' ' THR . 5.6 t -36.34 138.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.94 -78.28 0.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' C ' ' HG3' ' A' ' 14' ' ' LYS . 35.3 tt0 -53.01 117.46 3.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.938 0.399 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.435 ' HG3' ' C ' ' A' ' 13' ' ' GLU . 71.3 mttt -154.61 105.02 2.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.4 Cg_endo -69.76 3.36 2.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 62.0 m-85 -132.11 159.17 39.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 14.4 tt0 -169.79 144.69 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 20.0 t -77.32 127.17 32.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -84.65 12.65 6.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.61 HG21 ' CE1' ' A' ' 39' ' ' HIS . 92.5 mt -109.92 -51.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.17 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.433 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 20.7 p -108.19 -12.6 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 21' ' ' CYS . 19.5 m-70 74.94 38.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.588 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -97.99 108.15 20.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 13.9 mmt180 -59.49 154.6 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 89.6 m-85 -148.1 135.75 20.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.8 t -96.81 19.48 12.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -152.23 110.78 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 88.7 p -45.39 -39.49 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.9 -52.98 40.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.3 m -50.83 -53.35 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.753 0.311 . . . . 0.0 111.119 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.403 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.3 ttp -53.28 -61.02 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -47.01 -44.52 20.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 21.9 mtm -68.34 -33.23 73.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -70.15 -37.97 75.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.1 mt -72.56 -30.06 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.759 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -93.7 -8.18 41.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 33' ' ' MET . 24.7 mm-40 -101.71 -37.54 8.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -98.62 -32.31 11.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.61 ' CE1' HG21 ' A' ' 20' ' ' ILE . 61.9 m-70 -118.77 50.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 t -71.13 -23.78 62.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -97.44 -29.98 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -79.54 43.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 39' ' ' HIS . 2.7 p -168.32 138.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.48 -54.65 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -85.27 131.31 34.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' A' ' 58' ' ' LYS . 83.3 m-85 -102.21 152.82 20.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -138.22 138.98 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.428 ' C ' ' H ' ' A' ' 50' ' ' HIS . 35.4 t -66.51 126.62 92.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.489 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.76 13.13 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.342 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.428 ' H ' ' C ' ' A' ' 48' ' ' CYS . 42.1 m-70 -126.17 -72.64 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.6 p -104.4 159.35 15.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.17 82.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -133.01 135.24 45.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -83.47 140.49 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.179 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 57' ' ' ARG . 45.1 mm -128.66 121.55 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.86 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' O ' HG22 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -120.59 173.6 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' LEU . 18.9 tptp -60.86 -60.66 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -38.27 -39.08 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 61' ' ' LEU . 6.3 t0 -68.21 -44.39 75.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' LYS . 54.1 tp -35.68 -50.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -50.33 -59.08 8.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.532 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -44.25 -41.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.408 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 54.6 t60 -69.43 -32.4 71.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.2 -35.37 71.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -84.38 -33.48 23.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -73.39 -63.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.408 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 20.5 mm100 -69.63 -47.74 62.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -110.43 -178.19 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 m -113.23 107.21 15.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -142.07 167.48 22.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 73' ' ' GLY . 54.1 p -168.84 178.14 4.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 72' ' ' SER . . . -35.39 121.9 0.55 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.533 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 112.4 3.07 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.662 2.242 . . . . 0.0 112.31 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.0 t -103.38 159.77 15.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.0 p -39.56 -48.2 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.829 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.456 -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 1.451 -0.33 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 p -82.43 149.82 27.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.844 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 m -133.44 126.45 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.53 48.7 0.82 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 p -77.06 158.68 30.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.876 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -69.8 -56.71 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.29 132.34 3.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -79.53 147.37 32.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.8 p -132.66 131.63 41.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -77.65 148.83 34.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -154.55 114.59 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.89 72.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' A' ' 14' ' ' LYS . 1.6 pm0 -99.24 -38.59 8.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 66.6 mttt -145.28 108.67 4.55 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.2 Cg_endo -69.74 1.84 4.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 70.9 m-85 -132.27 153.5 50.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -161.91 141.12 9.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.6 t -74.64 123.33 24.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -82.4 20.02 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.702 ' CD1' HG23 ' A' ' 35' ' ' ILE . 64.2 mt -116.06 -52.46 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 31.1 p -113.21 -2.12 14.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 71.51 27.36 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.502 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -82.38 109.4 16.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.493 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 14.9 mmt180 -68.05 149.24 49.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CD1' HG22 ' A' ' 30' ' ' THR . 80.1 m-85 -139.3 137.58 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.471 HG23 ' HG3' ' A' ' 27' ' ' GLN . 2.9 t -78.23 -16.42 57.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.471 ' HG3' HG23 ' A' ' 26' ' ' THR . 46.4 mt-30 -131.55 162.89 29.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 51.5 p -82.15 -42.6 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.61 -45.1 95.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.616 HG22 ' CD1' ' A' ' 25' ' ' PHE . 73.1 m -60.22 -45.07 94.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.546 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.1 ttp -60.57 -57.52 12.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -51.07 -45.21 61.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 27.8 mmm -64.02 -24.4 67.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.885 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -80.14 -40.38 27.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.702 HG23 ' CD1' ' A' ' 20' ' ' ILE . 58.5 mt -70.49 -26.44 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.749 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -95.48 -8.4 35.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 33' ' ' MET . 20.5 mm-40 -101.99 -40.95 6.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -98.42 -33.85 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.86 ' O ' HG12 ' A' ' 43' ' ' VAL . 60.4 m-70 -115.96 44.86 1.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.4 t -63.26 -30.81 71.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 11.4 pt-20 -91.11 -49.19 6.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 4.8 t-20 -46.45 -44.91 17.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.86 HG12 ' O ' ' A' ' 39' ' ' HIS . 3.3 p -70.23 147.03 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.8 -53.44 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.598 ' HE3' HG11 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -99.96 138.0 37.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.422 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 2.1 m-85 -99.95 134.35 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -124.61 125.28 43.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 50' ' ' HIS . 37.6 t -50.53 127.56 24.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.606 0.717 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 11.5 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.421 ' H ' ' C ' ' A' ' 48' ' ' CYS . 41.3 m-70 -124.91 -71.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.2 p -106.55 176.29 5.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -81.91 81.98 7.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.4 m -135.08 124.65 25.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.598 HG11 ' HE3' ' A' ' 45' ' ' LYS . 88.5 t -85.62 140.32 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' A' ' 46' ' ' PHE . 26.5 mm -127.38 143.46 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.81 -73.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 60' ' ' ASP . 7.4 tpm_? -77.34 108.53 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 57' ' ' ARG . 17.7 tptm -33.26 -44.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -55.21 -48.52 73.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 57' ' ' ARG . 47.9 m-20 -47.67 -40.62 20.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' ASP . 67.9 tp -37.49 -43.36 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.26 -50.17 70.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.756 HG12 ' HD3' ' A' ' 67' ' ' LYS . 57.4 t -52.36 -42.74 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -68.75 -29.82 68.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.2 mt -77.5 -31.9 53.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -84.29 -33.67 23.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.756 ' HD3' HG12 ' A' ' 63' ' ' VAL . 8.6 mtpp -76.58 -71.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -61.53 -48.22 82.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.971 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -107.62 -178.74 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.7 m -121.32 101.92 7.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -128.45 98.94 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 99.7 p -168.96 140.32 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.819 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -158.99 -116.63 0.46 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 84.66 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.7 p -172.46 133.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.8 t -100.84 129.36 46.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.475 -179.995 . . . . . . . . 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 -0.346 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 p -128.87 114.62 16.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 p -162.54 174.7 12.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.35 151.87 10.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 m -147.74 155.41 41.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -96.18 -55.08 3.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.07 45.84 2.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -87.53 99.18 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 78.6 m -143.77 139.56 29.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -164.52 139.09 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -155.09 136.27 13.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.2 164.68 12.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.43 ' C ' ' HG2' ' A' ' 14' ' ' LYS . 11.3 pt-20 -106.52 24.16 13.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.958 0.409 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HG2' ' C ' ' A' ' 13' ' ' GLU . 16.7 mmtp -146.32 117.63 4.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -2.45 10.2 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 92.8 m-85 -141.79 157.88 44.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -169.3 137.82 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.8 t -71.19 125.68 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -85.83 16.72 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.533 HD12 HG23 ' A' ' 35' ' ' ILE . 83.9 mt -112.32 -48.02 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 26.3 p -117.65 -2.76 11.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 72.76 25.02 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.558 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -79.57 104.22 10.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 -62.44 159.54 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 85.1 m-85 -151.73 126.93 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 m -69.48 -20.26 63.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -124.2 173.86 8.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 97.5 p -90.69 -52.71 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.8 -49.02 35.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.403 HG22 ' CE1' ' A' ' 25' ' ' PHE . 37.7 m -53.67 -48.91 69.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 111.154 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.541 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 22.5 ttp -57.5 -62.0 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -45.8 -49.81 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 9.9 mmm -58.98 -32.61 69.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -72.67 -39.39 67.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.533 HG23 HD12 ' A' ' 20' ' ' ILE . 50.0 mt -71.42 -28.97 33.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.566 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.1 pp -93.72 -8.24 41.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 33' ' ' MET . 40.3 mm-40 -102.03 -40.03 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -98.08 -33.42 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.524 ' CE1' HG21 ' A' ' 20' ' ' ILE . 62.5 m-70 -116.4 43.61 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 t -61.72 -30.63 70.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -96.0 -37.81 10.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -75.45 56.14 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -171.22 147.92 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.97 -73.57 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -89.86 151.08 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -108.06 161.12 15.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -134.06 125.73 28.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.0 t -54.63 136.76 63.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.586 0.708 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 7.42 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.454 ' CD2' HD21 ' A' ' 65' ' ' LEU . 55.1 m-70 -129.48 -73.53 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.1 p -97.06 -178.97 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.99 75.05 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.1 m -124.47 117.87 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.5 133.78 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.808 HG22 ' O ' ' A' ' 57' ' ' ARG . 41.2 mm -125.48 75.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -32.53 -67.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.069 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.808 ' O ' HG22 ' A' ' 55' ' ' ILE . 9.8 tpp180 -79.82 142.15 35.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -64.35 -61.49 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 t -45.78 -42.87 12.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -49.28 -41.09 36.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.565 ' CA ' HG21 ' A' ' 55' ' ' ILE . 45.7 tp -38.5 -47.09 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -55.02 -61.91 6.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.439 HG12 ' HD3' ' A' ' 67' ' ' LYS . 64.8 t -41.63 -52.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 111.134 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.527 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 57.1 t60 -57.1 -33.13 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.559 HD22 ' CZ ' ' A' ' 71' ' ' TYR . 13.1 mt -75.23 -24.24 57.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -88.08 -35.03 17.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HD3' HG12 ' A' ' 63' ' ' VAL . 13.8 mtpt -79.19 -71.37 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.527 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 8.3 mm-40 -56.56 -47.56 79.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -108.72 170.17 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -95.27 111.94 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.559 ' CZ ' HD22 ' A' ' 65' ' ' LEU . 5.0 m-85 -132.83 -38.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -86.46 178.01 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.32 -170.41 47.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.444 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -37.01 9.71 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t 55.82 42.08 29.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.2 t -137.05 130.78 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.478 -179.991 . . . . . . . . 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 1.451 -0.322 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -151.46 173.23 14.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -150.25 178.31 9.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.88 119.98 0.94 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -152.96 151.81 30.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 m -124.91 143.5 50.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.41 78.29 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -136.97 141.31 42.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.921 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.3 p -136.55 136.55 39.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -74.3 121.5 21.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.6 t -113.02 40.97 2.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.52 151.08 2.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -99.41 113.9 26.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.391 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 26' ' ' THR . 69.3 mttt -150.96 105.01 3.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.561 0.696 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.6 Cg_endo -69.78 1.21 4.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.317 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -127.95 155.8 43.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 44.3 tt0 -160.71 152.82 20.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 37.6 t -88.0 125.27 34.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -83.45 20.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.573 ' CD1' HG23 ' A' ' 35' ' ' ILE . 77.2 mt -116.17 -52.45 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.166 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.2 p -112.95 -8.01 13.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 74.48 35.57 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.452 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -93.44 110.72 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.441 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 15.3 mmt85 -64.44 157.34 26.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.523 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 84.1 m-85 -147.68 126.09 12.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.51 HG23 ' HG3' ' A' ' 27' ' ' GLN . 4.1 t -68.12 -19.72 64.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.51 ' HG3' HG23 ' A' ' 26' ' ' THR . 77.5 mt-30 -125.07 160.59 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 p -80.98 -45.52 16.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.71 -51.95 51.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 25' ' ' PHE . 95.4 m -51.49 -45.61 62.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.333 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.523 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 28.3 ttp -59.14 -62.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -46.13 -48.03 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.496 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 10.6 mmm -61.61 -34.71 76.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.449 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 40.5 t60 -68.89 -36.71 78.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.573 HG23 ' CD1' ' A' ' 20' ' ' ILE . 53.3 mt -73.44 -31.18 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.496 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 1.4 pp -93.0 -10.78 35.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' MET . 29.9 mm-40 -100.26 -40.81 7.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 29.4 mmtt -95.66 -33.37 12.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.458 ' O ' HG12 ' A' ' 43' ' ' VAL . 63.3 m-70 -118.01 47.29 1.6 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.1 t -63.65 -40.58 97.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -90.82 -27.5 18.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -80.14 42.61 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 39' ' ' HIS . 6.5 p -161.9 144.83 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.36 -70.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -87.6 141.88 28.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -104.82 144.64 31.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -122.49 113.44 19.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.2 t -42.12 135.56 2.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -17.1 37.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -101.72 -64.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.8 p -101.81 -174.26 2.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' THR . 2.3 p30 -86.89 -18.68 30.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' ASP . 92.1 m -32.45 122.26 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.139 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.1 t -84.88 136.73 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.2 mm -119.45 138.77 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.49 -76.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -98.17 150.58 21.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 61' ' ' LEU . 8.6 tptm -57.36 -56.59 19.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 t -38.26 -34.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 61' ' ' LEU . 14.1 t70 -70.97 -42.81 69.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 58' ' ' LYS . 47.8 tp -35.5 -38.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.19 -59.34 8.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.0 t -46.0 -39.04 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.111 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -72.94 -32.63 65.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt -72.89 -27.51 61.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -93.81 -33.38 13.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -76.07 -71.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -62.13 -49.96 73.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -99.26 167.28 10.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -89.47 97.86 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -134.87 26.64 3.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -98.59 -46.66 5.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.09 139.62 3.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 5.2 1.79 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.8 m 63.32 38.9 9.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.7 t -71.82 107.52 4.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.477 -179.993 . . . . . . . . 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 -0.31 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -101.26 166.67 10.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.845 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 t -140.77 161.01 38.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.03 127.7 3.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 m -155.9 166.35 33.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 m -138.25 134.94 35.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.86 -137.18 3.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.433 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -137.12 113.76 10.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t -121.36 128.5 52.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.8 t60 63.79 47.37 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -133.0 132.65 42.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.56 89.04 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -148.37 105.75 3.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.942 0.401 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.49 ' CD ' ' HB3' ' A' ' 24' ' ' ARG . 37.0 mttp -151.01 108.23 3.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.548 0.689 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.26 6.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 69.0 m-85 -129.31 156.41 44.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HG2' ' N ' ' A' ' 18' ' ' CYS . 19.7 tt0 -164.93 149.41 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 28.9 t -80.35 127.5 32.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -81.68 19.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.568 HD12 ' CD2' ' A' ' 39' ' ' HIS . 61.1 mt -122.1 -57.06 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.603 ' C ' ' CG ' ' A' ' 22' ' ' HIS . 29.0 p -106.92 12.16 29.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.603 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 1.1 p80 50.22 33.14 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.603 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -86.6 103.57 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' HB3' ' CD ' ' A' ' 14' ' ' LYS . 4.7 mmm180 -58.58 156.18 11.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.603 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 85.5 m-85 -149.48 134.37 17.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -90.42 -0.74 57.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -130.27 125.25 34.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.572 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 68.5 p -58.53 -35.2 71.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.02 -44.3 55.33 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.6 m -56.0 -51.39 67.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.718 0.295 . . . . 0.0 111.119 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.4 ttp -53.44 -60.11 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -53.04 -37.16 61.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.6 mtm -76.59 -16.89 59.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.518 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 49.1 t60 -84.73 -45.55 12.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.66 -25.67 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.936 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -94.89 -7.97 38.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.417 ' C ' ' HE2' ' A' ' 38' ' ' LYS . 7.1 mm100 -99.67 -42.91 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.518 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 10.4 mmpt? -95.06 -35.36 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.743 ' O ' HG12 ' A' ' 43' ' ' VAL . 54.2 m-70 -114.96 42.11 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 t -54.75 -38.94 67.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 12.6 pt-20 -99.86 -48.62 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.459 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 5.3 m-80 -38.4 -40.13 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 39' ' ' HIS . 7.2 p -75.65 152.21 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.84 -59.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -94.7 128.66 41.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.473 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 17.3 m-85 -90.86 159.24 16.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 46' ' ' PHE . 29.3 m-70 -151.24 118.05 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.1 t -38.52 132.98 1.02 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 1.66 4.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -118.37 -67.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.3 p -103.37 -176.35 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.88 91.19 5.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 m -142.25 117.45 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.07 128.91 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.543 HG22 ' O ' ' A' ' 57' ' ' ARG . 51.6 mm -118.78 76.91 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.525 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -26.84 -72.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.543 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.8 ptm180 -98.47 140.59 32.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 61' ' ' LEU . 13.7 tttp -55.78 -51.25 68.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 94.4 p -40.41 -33.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.44 ' HB3' HG23 ' A' ' 55' ' ' ILE . 10.1 t0 -73.87 -38.29 64.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.493 ' CA ' HG21 ' A' ' 55' ' ' ILE . 35.1 tp -37.08 -50.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.02 -60.81 8.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.414 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 97.1 t -42.38 -40.11 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -71.78 -38.44 70.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.0 mt -67.09 -33.89 76.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -88.75 -30.83 18.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 19.3 mmmt -74.9 -65.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -66.73 -48.09 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -107.59 179.25 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.0 m -106.64 95.43 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -133.94 38.37 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.7 p -120.22 -18.31 8.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -116.61 114.88 3.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 75' ' ' SER . 53.7 Cg_endo -69.77 1.49 4.4 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 74' ' ' PRO . 85.7 p 36.07 41.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.0 t -108.05 143.15 37.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.51 -179.989 . . . . . . . . 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 1.452 -0.294 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -109.65 125.19 52.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 t -171.67 114.13 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.61 103.76 0.45 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 p -50.13 121.93 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.827 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -52.11 -49.72 63.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.27 111.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -138.21 106.6 5.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 t -137.84 126.64 23.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -162.0 132.4 4.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.7 p -77.96 47.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.38 56.12 0.43 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -59.99 120.86 10.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 25' ' ' PHE . 54.5 mttp -150.64 106.18 3.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.55 0.691 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.0 Cg_endo -69.74 -1.31 8.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.638 2.226 . . . . 0.0 112.39 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 59.5 m-85 -126.38 160.63 29.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -167.51 140.43 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.5 t -69.48 128.26 35.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -85.32 18.83 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.767 HD12 HG23 ' A' ' 35' ' ' ILE . 72.9 mt -115.71 -54.36 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -109.14 -3.34 17.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 68.63 35.2 3.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.587 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -92.26 107.43 19.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 mmm-85 -58.41 157.33 8.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 80.2 m-85 -149.94 118.57 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 t -60.51 -18.3 51.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -129.58 157.86 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 79.7 p -80.68 -44.41 18.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.11 -46.24 79.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.441 HG22 ' CD1' ' A' ' 25' ' ' PHE . 77.7 m -58.87 -46.11 88.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.179 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.515 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 34.2 ttp -61.48 -56.49 19.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -47.63 -48.41 28.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.449 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 8.8 mtm -64.64 -31.48 72.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.436 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 42.1 t60 -68.89 -38.97 80.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.767 HG23 HD12 ' A' ' 20' ' ' ILE . 41.5 mt -71.27 -29.5 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.631 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -93.86 -9.0 38.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 33' ' ' MET . 10.0 mm100 -101.74 -39.84 7.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 31.4 mmtt -97.72 -32.64 11.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.517 ' CD2' HD12 ' A' ' 20' ' ' ILE . 62.0 m-70 -117.91 50.48 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.9 t -71.86 -33.58 68.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -86.24 -31.2 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -78.22 47.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.7 p -173.47 146.12 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.13 -57.63 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -80.66 135.1 35.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.59 ' CE1' ' HA ' ' A' ' 57' ' ' ARG . 60.8 m-85 -108.5 148.14 30.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -134.51 136.31 43.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.7 t -64.71 129.33 94.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 4.47 2.2 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -117.38 -72.59 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.4 p -99.01 171.04 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.99 77.92 8.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.2 m -129.65 150.63 50.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -95.53 139.84 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.609 HG21 ' CA ' ' A' ' 61' ' ' LEU . 26.9 mm -125.06 130.88 73.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.53 -74.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.59 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -134.7 179.97 5.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -49.64 -68.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.438 ' N ' ' HD3' ' A' ' 57' ' ' ARG . 1.4 t -40.98 -42.87 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.424 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 3.0 t70 -60.94 -43.37 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.609 ' CA ' HG21 ' A' ' 55' ' ' ILE . 54.2 tp -36.91 -54.37 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -47.08 -63.42 3.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 93.9 t -37.14 -47.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.92 0.39 . . . . 0.0 111.147 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.541 ' CG ' HD11 ' A' ' 55' ' ' ILE . 57.4 t60 -63.52 -38.81 92.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 62' ' ' GLY . 24.0 mt -67.12 -42.6 84.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 66' ' ' ARG . 6.7 mpt_? -76.03 -31.07 58.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -73.37 -76.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.06 -50.44 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -102.77 179.98 4.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 76.4 p -123.63 96.55 5.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -122.44 122.17 38.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.5 m -63.07 133.4 54.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -146.89 154.68 26.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -3.72 12.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.3 p -93.73 45.75 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.7 t -118.85 40.89 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.441 179.988 . . . . . . . . 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 -0.352 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -143.7 132.88 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 t -167.57 139.71 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.05 154.44 20.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.427 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -144.04 145.88 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -164.78 173.99 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.74 79.34 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -84.2 123.41 30.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.6 p -114.95 119.83 37.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -102.18 96.55 7.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.2 m -80.23 165.86 21.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.88 -136.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -156.57 116.75 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.9 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' C ' ' A' ' 25' ' ' PHE . 41.2 mttp -151.21 105.1 2.96 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.539 0.685 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 0.92 4.96 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.485 ' CE1' ' OG ' ' A' ' 28' ' ' SER . 65.5 m-85 -129.58 158.11 40.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -169.06 145.37 3.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.9 t -71.09 131.46 43.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -88.14 15.45 7.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.574 HD12 HG23 ' A' ' 35' ' ' ILE . 89.6 mt -112.74 -53.8 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.138 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 31.2 p -107.94 -7.88 16.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.416 ' CD2' ' C ' ' A' ' 21' ' ' CYS . 19.9 m-70 74.68 29.02 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.595 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -84.66 108.26 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -60.04 159.94 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 86.8 m-85 -153.41 122.86 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 t -65.27 -15.71 62.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -131.61 149.33 52.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.485 ' OG ' ' CE1' ' A' ' 16' ' ' TYR . 1.3 t -72.44 -37.14 68.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.17 -50.87 59.48 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.412 HG22 ' CD1' ' A' ' 25' ' ' PHE . 98.1 m -53.44 -41.87 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 111.15 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.49 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 15.3 ttp -67.04 -53.17 33.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 49' ' ' PRO . 16.6 mtmt -48.4 -45.11 35.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.419 ' SD ' ' CB ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -66.55 -39.8 88.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -59.86 -38.11 81.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.574 HG23 HD12 ' A' ' 20' ' ' ILE . 40.6 mt -70.5 -32.36 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.755 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -92.59 -8.01 45.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -99.44 -42.67 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -96.68 -35.31 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.407 ' CD2' HD12 ' A' ' 20' ' ' ILE . 59.5 m-70 -113.76 50.34 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 t -70.52 -30.81 67.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -102.9 -28.02 12.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -76.2 47.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -167.08 148.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.14 -60.39 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HB2' HG13 ' A' ' 54' ' ' VAL . 2.9 ptmm? -89.08 133.0 34.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 57' ' ' ARG . 30.6 m-85 -101.06 107.75 19.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.647 ' NE2' HG22 ' A' ' 54' ' ' VAL . 2.8 m170 -88.68 131.82 34.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.7 t -61.68 137.54 95.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.419 ' CB ' ' SD ' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.71 -32.22 19.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.543 ' NE2' ' CD2' ' A' ' 65' ' ' LEU . 7.8 m-70 -79.44 -67.1 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.74 172.33 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.33 79.79 5.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.6 m -130.98 131.88 44.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.647 HG22 ' NE2' ' A' ' 47' ' ' HIS . 62.6 t -78.39 136.01 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.571 HG21 ' CA ' ' A' ' 61' ' ' LEU . 14.2 mm -126.57 125.27 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -37.65 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HA ' ' CD1' ' A' ' 46' ' ' PHE . 5.2 ptp85 -133.74 179.63 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' HE2' HD13 ' A' ' 36' ' ' LEU . 23.2 tptp -53.88 -62.01 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.9 p -42.4 -35.42 1.02 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.98 -38.12 66.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.571 ' CA ' HG21 ' A' ' 55' ' ' ILE . 53.9 tp -45.7 -61.34 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -37.68 -63.56 0.84 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.44 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.1 t -39.86 -45.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 111.103 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -66.6 -33.35 75.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.803 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.543 ' CD2' ' NE2' ' A' ' 50' ' ' HIS . 19.1 mt -70.3 -41.88 72.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -76.59 -32.3 58.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -75.85 -75.17 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -57.79 -49.25 77.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.972 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -105.94 178.24 4.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 90.0 p -115.95 100.56 8.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -134.87 88.33 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 m -172.27 177.35 3.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.98 -116.73 0.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -175.9 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.359 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.8 m -103.52 151.85 22.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.6 t -120.36 149.08 42.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.493 -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 1.451 -0.329 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -139.98 137.95 35.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -158.8 127.63 5.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.77 50.77 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -165.21 141.65 5.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' GLY . 37.3 t -174.86 159.66 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.93 144.13 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.1 ttm-85 -153.97 134.79 13.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.3 p -50.08 151.21 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -87.64 105.94 17.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.4 m -122.79 172.98 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.94 176.56 26.02 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.425 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 1.6 pm0 -101.93 88.1 3.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.889 0.376 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HD2' ' C ' ' A' ' 13' ' ' GLU . 4.5 mptt -150.43 105.83 3.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.593 0.711 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.65 3.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.362 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -134.15 156.9 47.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -160.8 147.86 15.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.1 t -79.37 125.56 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -82.73 18.87 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.6 HD12 ' CD2' ' A' ' 39' ' ' HIS . 75.0 mt -116.53 -51.58 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 30.5 p -114.57 3.75 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.2 m170 63.88 30.39 14.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.502 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . . . -82.56 114.89 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -73.17 143.07 47.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CD2' ' HG3' ' A' ' 31' ' ' MET . 90.1 m-85 -137.03 130.77 31.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.765 HG23 ' HG3' ' A' ' 27' ' ' GLN . 7.8 t -71.54 -21.55 61.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.765 ' HG3' HG23 ' A' ' 26' ' ' THR . 66.0 mt-30 -126.37 155.17 42.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.2 p -77.98 -32.73 51.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.14 -51.17 55.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.3 m -56.51 -45.69 80.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.15 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.549 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 59.9 ttp -59.95 -57.67 11.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 33.4 mttm -47.66 -48.08 29.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.476 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -63.73 -27.22 69.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.552 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 42.7 t60 -75.96 -37.95 58.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 20' ' ' ILE . 58.3 mt -71.71 -27.76 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -94.97 -10.59 30.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 33' ' ' MET . 19.3 mm-40 -101.64 -37.03 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.552 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 29.7 mmtt -99.05 -30.97 12.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.6 ' CD2' HD12 ' A' ' 20' ' ' ILE . 62.0 m-70 -121.06 48.29 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.0 t -65.51 -41.04 93.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -94.33 -23.22 17.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -82.5 43.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.407 HG22 ' N ' ' A' ' 44' ' ' ALA . 4.1 p -159.52 152.85 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.407 ' N ' HG22 ' A' ' 43' ' ' VAL . . . -94.25 -67.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -88.79 145.21 25.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 11.1 m-85 -110.12 101.84 10.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' CYS . 16.0 m-70 -83.57 108.56 16.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' HIS . 30.1 t -37.81 137.48 0.7 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 32' ' ' LYS . 53.8 Cg_endo -69.78 10.58 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -132.06 -67.45 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.9 p -105.64 179.83 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -91.74 80.16 5.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.7 m -135.04 118.59 16.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.5 t -71.88 136.13 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 57' ' ' ARG . 37.7 mm -124.01 82.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 55' ' ' ILE . . . -29.65 -71.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.687 ' O ' HG22 ' A' ' 55' ' ' ILE . 23.3 ptt180 -100.51 149.6 23.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.583 ' HG2' ' CE2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -68.43 -46.74 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 p -40.76 -30.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' LEU . 1.6 t70 -83.67 -37.48 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' LYS . 47.9 tp -38.05 -53.72 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -49.95 -58.21 8.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.523 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.5 t -44.9 -43.27 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 111.164 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.401 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 56.3 t60 -69.07 -38.77 79.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.407 HD22 ' CE2' ' A' ' 71' ' ' TYR . 16.2 mt -68.74 -21.91 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -93.78 -42.97 8.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -73.56 -72.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.401 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 11.4 mm-40 -57.41 -48.65 78.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -104.86 171.0 7.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.6 t -102.94 97.4 7.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.407 ' CE2' HD22 ' A' ' 65' ' ' LEU . 9.6 m-85 -133.32 82.84 2.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.962 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.4 t -67.91 146.87 53.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 165.99 98.0 0.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.532 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 102.49 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.712 2.274 . . . . 0.0 112.356 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.3 m -53.5 133.37 40.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.7 m -90.63 120.97 32.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.482 -179.97 . . . . . . . . 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 -0.308 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -146.47 116.68 7.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.373 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 p -139.79 178.37 7.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.95 173.47 43.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -145.21 136.18 24.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -139.57 163.03 33.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.27 -151.47 9.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -87.44 -61.11 1.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.8 m -156.65 130.49 8.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -60.14 89.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 m -169.7 134.79 1.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.96 132.54 9.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.453 ' OE2' ' NH1' ' A' ' 24' ' ' ARG . 9.9 pt-20 -90.68 -45.11 9.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 49.1 mttt -147.85 105.02 3.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 4.25 2.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 68.7 m-85 -133.85 166.1 23.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -175.05 139.76 0.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.8 t -69.82 124.19 23.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -81.76 18.63 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.548 HD12 HG23 ' A' ' 35' ' ' ILE . 58.7 mt -116.48 -52.85 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 32.0 p -111.99 2.58 16.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 65.91 26.98 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.551 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -79.97 102.73 9.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 5.5 mmt85 -61.75 152.96 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 81.5 m-85 -146.08 131.56 18.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.617 HG23 ' HG2' ' A' ' 27' ' ' GLN . 6.2 t -74.18 -16.55 60.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.617 ' HG2' HG23 ' A' ' 26' ' ' THR . 14.5 mm-40 -133.87 150.95 51.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 95.6 p -72.02 -50.51 27.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.75 -39.3 16.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.9 m -69.76 -47.29 63.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 111.137 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.454 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 28.9 ttp -59.21 -52.36 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -57.65 -38.9 75.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.423 ' HG3' ' CB ' ' A' ' 49' ' ' PRO . 9.6 mtm -72.7 -15.92 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 46.7 t60 -85.95 -43.31 13.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.548 HG23 HD12 ' A' ' 20' ' ' ILE . 60.3 mt -63.71 -26.42 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.14 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.947 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -93.73 -8.19 41.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.428 ' C ' ' HE2' ' A' ' 38' ' ' LYS . 53.5 mt-30 -100.18 -42.39 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.563 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 10.7 mmpt? -94.84 -34.7 12.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.545 ' CD2' HD12 ' A' ' 20' ' ' ILE . 43.9 m-70 -115.79 45.44 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 t -61.23 -39.26 89.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -100.29 -28.38 13.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -77.67 50.44 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 39' ' ' HIS . 5.7 p -165.63 149.64 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.93 -58.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.629 ' HE3' HG11 ' A' ' 54' ' ' VAL . 14.4 tttp -88.04 129.45 35.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -100.69 150.2 23.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -133.39 138.04 46.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.411 ' C ' ' H ' ' A' ' 50' ' ' HIS . 38.9 t -65.74 129.85 94.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.423 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.77 10.43 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.433 ' NE2' ' CD2' ' A' ' 65' ' ' LEU . 20.6 m-70 -124.45 -71.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.6 p -105.39 164.2 12.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -75.7 78.7 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.3 m -128.06 137.05 52.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.629 HG11 ' HE3' ' A' ' 45' ' ' LYS . 95.0 t -89.56 140.67 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.488 HG21 ' N ' ' A' ' 61' ' ' LEU . 25.6 mm -128.94 133.09 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.9 -72.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 ptt-85 -122.13 -178.74 3.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' LEU . 12.0 tptm -62.13 -63.32 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.1 m -38.95 -42.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.02 -44.09 97.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.488 ' N ' HG21 ' A' ' 55' ' ' ILE . 63.2 tp -39.87 -45.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -54.17 -63.31 5.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.8 t -37.82 -44.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 111.092 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -68.33 -37.79 80.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' GLY . 14.8 mt -63.06 -40.49 97.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -81.62 -35.95 29.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -67.98 -61.93 1.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -72.22 -50.32 28.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -107.85 177.74 4.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.0 m -106.48 95.53 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -124.56 76.54 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.6 t -169.47 170.48 8.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.98 142.1 21.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -29.61 23.33 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.637 2.225 . . . . 0.0 112.377 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.0 p -74.46 167.52 21.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.4 t -58.19 109.5 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.51 -179.943 . . . . . . . . 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 -0.308 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m -126.62 165.06 19.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -163.64 173.34 13.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.34 144.86 4.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -119.84 110.02 16.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.815 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.1 p -110.91 124.75 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.92 144.35 16.12 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -144.83 153.9 42.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.9 p -37.6 140.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 22.3 t-160 -83.64 36.84 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.2 t -126.88 80.07 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.486 ' C ' ' CD ' ' A' ' 13' ' ' GLU . . . 116.86 -45.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.486 ' CD ' ' C ' ' A' ' 12' ' ' GLY . 4.9 pm0 39.94 28.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.958 0.409 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HD3' ' CB ' ' A' ' 24' ' ' ARG . 33.0 mttt -144.35 108.65 4.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.699 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -1.65 8.79 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 63.6 m-85 -127.68 159.34 35.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.94 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -169.22 143.83 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' HG12 ' A' ' 35' ' ' ILE . 20.3 t -75.9 122.66 24.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -81.21 19.09 0.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.443 HD12 ' CD2' ' A' ' 39' ' ' HIS . 77.8 mt -117.71 -51.9 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 30.1 p -111.28 2.25 17.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 63.67 33.49 13.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.514 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -89.05 106.99 18.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 12.7 mmt85 -65.51 150.58 48.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 96.5 m-85 -145.75 139.75 26.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.479 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 9.0 t -99.88 17.21 21.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.127 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -147.4 111.22 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.498 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 78.9 p -45.29 -39.29 6.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.67 -44.55 81.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.8 m -58.22 -54.58 45.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.34 . . . . 0.0 111.127 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 26.2 ttp -50.37 -56.79 9.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -54.29 -45.84 72.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.415 ' HG3' ' CB ' ' A' ' 49' ' ' PRO . 8.6 mtm -64.6 -23.57 67.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.532 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 50.8 t60 -78.49 -45.78 21.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.404 HG23 HD12 ' A' ' 20' ' ' ILE . 59.7 mt -61.97 -25.09 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.761 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -95.68 -7.28 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.434 ' C ' ' HE2' ' A' ' 38' ' ' LYS . 19.5 mm-40 -100.8 -43.07 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 10.7 mmpt? -94.37 -34.3 12.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.451 ' O ' HG12 ' A' ' 43' ' ' VAL . 35.6 m-70 -116.48 42.48 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.7 t -56.25 -38.74 71.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -99.35 -30.51 12.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -77.15 57.34 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 39' ' ' HIS . 3.8 p -170.1 147.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.26 -68.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -83.03 135.75 34.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -101.29 101.86 12.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -84.63 126.09 33.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.5 t -55.35 134.38 69.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.66 0.743 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.415 ' CB ' ' HG3' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.77 7.31 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -126.36 -72.38 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.9 p -97.23 169.25 9.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.5 69.49 10.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.8 m -122.26 139.33 53.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -89.4 138.42 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.575 HG21 ' N ' ' A' ' 61' ' ' LEU . 21.5 mm -126.5 129.81 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.94 -76.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.25 175.01 7.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.688 ' HE2' HD13 ' A' ' 36' ' ' LEU . 26.8 tptp -54.06 -66.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' LYS . 14.9 p -36.87 -41.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.77 -43.3 96.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.575 ' N ' HG21 ' A' ' 55' ' ' ILE . 58.8 tp -40.12 -53.36 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -45.49 -58.73 5.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.404 HG13 ' HD3' ' A' ' 67' ' ' LYS . 96.1 t -41.96 -44.34 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 111.116 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.406 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 55.9 t60 -67.94 -33.39 74.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' GLY . 26.9 mt -73.95 -26.61 60.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -88.38 -39.95 13.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -75.55 -74.18 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.406 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 4.2 mm100 -56.5 -47.13 79.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -106.39 173.34 6.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.4 t -113.13 103.59 11.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -134.94 39.49 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -155.05 154.73 32.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 173.89 85.71 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.44 5.29 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.299 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 t -75.46 118.28 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 64.8 m -119.93 157.36 28.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.813 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.484 179.974 . . . . . . . . 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 -0.293 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.9 m -46.8 -60.41 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 110.863 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t 69.91 42.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.5 105.58 0.21 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -87.34 122.48 31.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 t -107.59 125.57 51.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.99 74.11 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -117.13 -47.18 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 9' ' ' THR . 9.4 t -75.72 118.93 19.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -122.87 94.05 4.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -150.07 141.87 23.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.69 139.25 6.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' C ' ' HG3' ' A' ' 14' ' ' LYS . 14.6 pt-20 -111.03 125.75 54.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 25' ' ' PHE . 38.5 mttp -152.42 105.77 2.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.726 2.284 . . . . 0.0 112.29 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 71.9 m-85 -132.44 156.09 47.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -165.72 139.51 4.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -71.73 123.55 22.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -81.84 16.34 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.597 HG21 ' CE1' ' A' ' 39' ' ' HIS . 86.8 mt -111.94 -49.29 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 31.9 p -117.14 1.56 12.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 66.55 30.79 8.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.594 ' O ' ' CE2' ' A' ' 25' ' ' PHE . . . -83.85 105.07 14.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 6.8 mmt85 -62.55 154.07 29.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 23' ' ' ALA . 95.9 m-85 -151.17 128.5 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.608 HG23 ' HG3' ' A' ' 27' ' ' GLN . 6.9 t -71.78 -17.37 62.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.608 ' HG3' HG23 ' A' ' 26' ' ' THR . 67.4 mt-30 -126.92 158.04 37.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 94.1 p -82.06 -48.67 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -51.8 -43.19 54.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -64.23 -44.49 91.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.347 . . . . 0.0 111.166 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.462 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 40.0 ttp -66.07 -55.56 15.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -47.25 -45.84 23.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.491 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 8.4 mtm -65.11 -40.13 94.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.464 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 27.6 t60 -60.76 -36.36 78.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.568 HG23 HD12 ' A' ' 20' ' ' ILE . 42.3 mt -70.86 -34.66 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.508 HD13 ' HE3' ' A' ' 58' ' ' LYS . 1.4 pp -90.56 -11.69 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -96.81 -37.15 10.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 30.9 mmtt -99.77 -35.57 9.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.597 ' CE1' HG21 ' A' ' 20' ' ' ILE . 59.4 m-70 -115.42 46.01 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 36' ' ' LEU . 1.1 t -59.5 -39.46 83.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -93.93 -31.33 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -77.87 54.33 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 39' ' ' HIS . 6.9 p -170.62 146.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.17 -68.06 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -80.96 133.66 35.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 57' ' ' ARG . 57.1 m-85 -100.45 101.73 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -83.65 129.98 34.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.4 t -57.52 135.07 82.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -21.43 33.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.391 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.721 ' NE2' HD22 ' A' ' 65' ' ' LEU . 16.9 m-70 -92.49 -67.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 p -105.0 178.97 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.29 81.18 3.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.7 m -133.26 141.42 48.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.0 t -84.22 137.02 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.645 HG21 ' HA ' ' A' ' 61' ' ' LEU . 17.2 mm -128.0 128.68 69.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.53 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.563 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 13.2 ptm180 -135.7 -176.77 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.508 ' HE3' HD13 ' A' ' 36' ' ' LEU . 13.4 tptm -54.52 -68.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' LYS . 7.7 m -38.08 -44.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -41.06 98.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.645 ' HA ' HG21 ' A' ' 55' ' ' ILE . 20.6 tp -45.13 -61.85 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' LEU . . . -36.43 -59.25 1.03 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.7 t -41.78 -45.13 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.402 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 59.9 t60 -71.73 -41.03 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.721 HD22 ' NE2' ' A' ' 50' ' ' HIS . 35.2 mt -65.75 -23.7 66.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -93.74 -42.02 9.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 2.6 mptt -70.66 -71.83 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.402 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 31.9 mm-40 -59.89 -48.29 82.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -103.59 -175.57 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.9 m -104.59 103.97 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.669 ' CE2' HD13 ' A' ' 65' ' ' LEU . 4.7 m-85 -132.35 42.74 3.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.5 t -130.69 -50.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.52 -127.6 1.77 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -44.24 2.17 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 t -143.72 127.89 17.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.3 t -42.71 140.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.468 -179.937 . . . . . . . . 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 1.452 -0.291 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t 57.5 40.85 26.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -71.58 154.08 41.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.97 46.14 2.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.1 p -106.79 134.51 49.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.9 m -54.35 -61.83 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.806 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.63 65.45 3.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -130.4 40.05 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.2 p -124.53 141.83 51.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -167.49 119.27 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.9 m -122.57 132.93 54.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.413 ' HA3' ' NH2' ' A' ' 24' ' ' ARG . . . 101.48 81.95 1.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.49 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.423 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 7.5 pt-20 -117.87 71.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 13' ' ' GLU . 6.3 mptt -152.81 112.65 2.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.637 0.732 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.9 Cg_endo -69.76 2.97 3.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.716 2.278 . . . . 0.0 112.364 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 81.1 m-85 -135.32 154.28 51.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -162.93 141.3 8.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 t -73.09 123.65 24.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -83.23 16.46 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.71 HG21 ' CE1' ' A' ' 39' ' ' HIS . 90.4 mt -112.97 -51.42 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.468 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 13.1 p -110.1 -10.78 14.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.468 ' CD2' ' C ' ' A' ' 21' ' ' CYS . 16.1 m-70 74.86 37.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.605 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . -97.32 107.11 19.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' NH2' ' HA3' ' A' ' 12' ' ' GLY . 16.3 mmm-85 -58.94 156.17 12.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 87.2 m-85 -150.25 130.23 13.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -86.7 3.39 45.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -136.0 122.73 21.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 89.8 p -56.28 -37.58 70.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.98 -51.9 36.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.8 m -50.43 -51.54 45.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.402 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 24.7 ttp -52.4 -61.09 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -51.24 -38.57 53.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.488 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 21.8 mtm -71.5 -21.61 61.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.456 ' CE1' ' HG3' ' A' ' 38' ' ' LYS . 35.9 t60 -82.25 -39.78 22.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.441 HG23 HD12 ' A' ' 20' ' ' ILE . 71.5 mt -67.5 -30.32 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.834 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -89.52 -7.31 55.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 33' ' ' MET . 54.3 mt-30 -102.15 -41.96 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 34' ' ' HIS . 29.8 mmtt -97.66 -30.68 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.819 ' O ' HG12 ' A' ' 43' ' ' VAL . 61.1 m-70 -119.97 46.03 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.469 ' CB ' ' HZ3' ' A' ' 58' ' ' LYS . 3.4 t -64.21 -34.11 77.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 19.2 pt-20 -89.44 -49.6 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 6.0 t-20 -42.2 -45.75 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.819 HG12 ' O ' ' A' ' 39' ' ' HIS . 3.1 p -73.77 144.26 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.23 -63.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.68 ' HE3' HG11 ' A' ' 54' ' ' VAL . 15.5 tttp -93.01 141.62 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.594 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 10.6 m-85 -102.39 146.71 27.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.532 ' CE1' HG22 ' A' ' 54' ' ' VAL . 31.6 m-70 -137.64 134.89 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.4 ' C ' ' H ' ' A' ' 50' ' ' HIS . 44.3 t -58.43 125.68 76.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 9.82 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.377 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.4 ' H ' ' C ' ' A' ' 48' ' ' CYS . 40.7 m-70 -123.48 -71.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.3 p -107.51 177.92 4.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -83.03 85.65 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.4 m -136.09 112.12 9.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.68 HG11 ' HE3' ' A' ' 45' ' ' LYS . 96.6 t -74.14 133.66 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.4 mm -122.28 136.21 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.68 -70.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.47 158.03 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.594 ' HG2' ' CE2' ' A' ' 46' ' ' PHE . 0.7 OUTLIER -65.31 -50.49 65.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -40.93 -31.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.01 -38.12 16.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 58' ' ' LYS . 58.8 tp -38.48 -51.67 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -49.6 -57.84 9.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.3 t -40.94 -42.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 111.144 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.466 ' CE1' ' HG3' ' A' ' 68' ' ' GLN . 54.3 t60 -69.48 -38.71 77.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.683 HD22 ' CE1' ' A' ' 71' ' ' TYR . 20.8 mt -70.33 -28.43 65.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.3 mtm-85 -85.59 -42.89 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -71.73 -74.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.466 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 38.3 mm-40 -56.35 -49.09 75.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -106.86 -176.92 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.5 m -104.25 106.41 16.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.683 ' CE1' HD22 ' A' ' 65' ' ' LEU . 12.4 m-85 -144.09 150.02 37.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.5 p -101.05 149.21 24.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -130.01 -166.06 11.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 113.39 3.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.356 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.4 p -78.42 -49.21 13.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.5 m 58.59 42.49 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.483 179.969 . . . . . . . . 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_