data_1wys_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 1wys _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 ' 16' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.821 0.343 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.6 t -76.65 110.04 10.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -43.77 -38.27 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 t -50.79 138.51 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 22' ' ' CYS . 8.8 mt-30 -86.25 -75.07 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' GLN . 5.7 p-80 -35.28 -32.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 20' ' ' GLN . 32.4 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.5 p90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.86 0.362 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 mt -85.1 134.06 41.74 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.654 0.74 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.71 11.35 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.471 ' CG ' ' NH1' ' A' ' 44' ' ' ARG . 39.4 m-85 -141.66 111.71 6.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 p -73.63 123.48 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.8 t -65.48 129.86 41.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -79.47 43.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.63 -69.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.8 p -98.48 12.96 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m 53.12 43.91 31.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -112.59 126.2 7.43 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 mt -75.55 101.34 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.7 m-30 -112.2 165.71 11.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 p -66.28 178.85 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 tt -66.44 -36.66 83.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.42 -25.19 61.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -114.97 17.34 16.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.471 ' NH1' ' CG ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -68.24 -37.6 80.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.02 161.73 30.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -72.59 -59.79 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -49.83 -39.25 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.9 m -47.09 -34.81 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 51' ' ' CYS . 39.1 p-80 -125.19 25.32 7.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 40.98 44.04 3.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.522 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 26.8 t -33.1 139.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t -65.94 -27.16 67.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.879 0.371 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -80.17 106.49 12.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.47 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 79.0 mm-40 -38.78 -39.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.468 HG11 ' CE1' ' A' ' 21' ' ' HIS . 27.9 t -52.62 136.88 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -88.52 -55.14 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.468 ' CE1' HG11 ' A' ' 19' ' ' VAL . 13.8 p80 -52.0 -17.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.8 p90 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.1 mt -101.04 129.2 27.7 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 118.82 5.91 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -132.99 99.78 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 p -54.93 110.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.1 t -53.86 137.91 37.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -85.8 42.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.05 -57.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.5 p -113.38 18.24 17.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 t 49.69 38.58 15.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.58 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -106.76 120.14 6.15 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 83.6 mt -71.82 99.8 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.58 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.6 m-30 -112.1 162.94 14.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 43' ' ' HIS . 26.0 p -65.51 147.79 52.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tp -36.07 -49.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.78 -41.38 86.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 40' ' ' CYS . 34.2 m170 -96.32 16.73 17.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -66.35 -34.37 77.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 t -64.95 165.49 10.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.588 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 10.8 mttp -89.19 -60.5 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -43.33 -46.53 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.4 m -42.41 -52.7 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.588 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 34.1 p-80 -101.82 36.48 2.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 33.44 43.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLY . 13.6 t -35.6 137.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.8 m -67.74 -34.1 76.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 16' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.5 t -70.29 95.64 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.432 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 22.2 mm-40 -39.76 -35.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.567 HG12 ' CE1' ' A' ' 21' ' ' HIS . 24.1 t -51.8 145.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.434 ' N ' HG13 ' A' ' 19' ' ' VAL . 2.1 pm0 -104.35 -33.96 8.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.567 ' CE1' HG12 ' A' ' 19' ' ' VAL . 4.5 p80 -72.0 -11.13 60.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 50.7 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 40' ' ' CYS . 48.6 p90 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.901 0.381 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt -99.69 133.82 21.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 117.04 4.85 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -131.82 93.32 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -52.9 111.78 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.4 t -54.98 133.65 48.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -83.03 37.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.32 -65.8 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.0 p -106.01 21.02 18.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.362 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.4 p 49.57 33.42 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.554 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -99.22 121.54 7.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.7 mp -74.6 98.41 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.554 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.5 m-30 -111.35 165.54 11.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.419 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 31.2 p -65.55 -176.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 tp -68.68 -44.63 73.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -66.26 -23.87 66.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 32.8 m170 -116.39 17.46 15.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -69.88 -29.74 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -76.5 174.59 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.552 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 18.7 mttp -87.57 -61.03 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -44.28 -42.06 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.1 p -46.59 -42.89 16.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 46.8 p-80 -115.27 27.13 9.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 39.32 42.75 1.86 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.531 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 50' ' ' GLY . 8.7 t -33.93 143.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.371 . . . . 0.0 110.839 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 m -81.77 -25.49 35.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m170 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 t -79.73 110.65 15.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -47.73 -37.18 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.498 HG13 ' CE1' ' A' ' 21' ' ' HIS . 25.2 t -55.82 134.57 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' CYS . 11.3 mm-40 -86.07 -68.53 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.498 ' CE1' HG13 ' A' ' 19' ' ' VAL . 28.1 p80 -38.06 -29.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.459 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 9.3 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.5 p90 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.904 0.383 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mp -102.11 140.8 21.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.576 0.703 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 122.55 9.22 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -134.88 95.07 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.2 p -54.65 111.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.7 t -59.93 127.78 33.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -82.99 36.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.19 -48.86 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.532 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.8 p -124.67 15.25 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t 54.31 48.66 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.568 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -123.43 121.05 4.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mp -70.61 95.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 2.3 m-30 -107.48 163.99 12.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.5 p -72.85 154.76 40.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 tt -45.19 -32.02 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.05 -38.25 66.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.459 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 32.7 m170 -104.83 21.42 16.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 -75.07 -36.45 61.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -61.22 158.05 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -92.59 39.68 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.26 -40.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.9 p -60.28 -29.32 68.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.486 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 27.3 p-80 -120.46 30.8 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 33.16 52.37 0.53 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.447 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 9.5 t -45.43 133.77 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -68.86 -28.08 66.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 p80 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.47 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 17.4 t -71.2 108.22 4.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 23.4 mm-40 -41.89 -33.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.468 HG11 ' CE1' ' A' ' 21' ' ' HIS . 18.2 t -60.48 128.14 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 22' ' ' CYS . 4.1 tp60 -78.03 -74.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.468 ' CE1' HG11 ' A' ' 19' ' ' VAL . 4.6 p-80 -33.06 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' GLN . 21.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 17' ' ' CYS . 5.1 p90 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -99.86 140.86 21.86 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.635 0.731 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 117.83 5.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -131.84 95.47 3.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -55.38 114.58 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.5 t -58.54 133.85 56.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -82.35 36.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.48 -69.0 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.516 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.6 p -98.6 9.45 43.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 m 59.77 31.06 20.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -99.76 124.95 8.4 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.6 mt -76.75 97.71 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.893 0.378 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.5 m-30 -109.81 169.31 8.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 27' ' ' PHE . 18.5 p -66.58 -178.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.36 -46.49 79.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.47 -33.66 76.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -105.21 15.92 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 -67.36 -40.53 85.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -70.93 158.1 37.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.598 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 3.3 mtmp? -74.62 -59.45 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -47.43 -38.85 14.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.1 m -51.45 -49.16 62.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.598 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 34.4 p-80 -104.06 27.4 7.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 38.5 43.57 1.57 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.467 ' CB ' ' HG2' ' A' ' 46' ' ' LYS . 11.1 t -33.45 145.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -69.38 -20.35 63.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.892 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.8 p80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -79.77 103.73 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.443 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 18.2 mm-40 -39.07 -38.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.4 t -50.63 153.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 22' ' ' CYS . 89.8 mm-40 -100.39 -74.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.6 p-80 -35.2 -31.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 20' ' ' GLN . 54.1 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.6 p90 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.864 0.364 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.1 mt -107.33 132.43 20.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.576 0.703 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 122.54 9.21 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -134.25 104.06 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.98 110.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.7 t -57.81 129.14 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -80.23 41.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.72 -61.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -110.25 14.44 22.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 t 56.4 39.0 30.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.573 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -108.77 120.63 5.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.502 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.93 102.88 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.824 0.345 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.2 m-30 -114.71 164.04 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.4 p -63.11 178.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.85 -48.85 77.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -61.15 -34.0 74.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.418 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 45.4 m170 -105.08 17.4 24.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -68.62 -37.03 79.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.0 t -72.34 163.45 27.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 14.8 mttp -80.16 -60.09 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -41.71 -39.86 1.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.5 t -52.66 -45.82 66.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 31.9 p-80 -109.91 32.81 4.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.4 42.86 0.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.518 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 19.8 t -33.86 141.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.1 m -73.02 -20.99 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.886 0.374 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 7.5 t -67.66 104.72 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.435 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 10.7 mm100 -44.98 -34.28 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.403 ' CG1' ' HD1' ' A' ' 21' ' ' HIS . 60.3 t -50.95 144.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' CYS . 2.9 mp0 -93.7 -72.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.403 ' HD1' ' CG1' ' A' ' 19' ' ' VAL . 4.7 p-80 -38.29 -29.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' GLN . 53.7 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 17' ' ' CYS . 17.5 p90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.897 0.379 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 mt -92.43 125.56 55.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 117.91 5.36 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -129.41 106.18 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.96 108.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.8 t -56.55 126.34 26.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.42 ' C ' ' HE2' ' A' ' 46' ' ' LYS . 83.2 m-20 -81.43 40.22 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -141.17 -59.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -111.1 16.67 20.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 m 53.59 40.89 32.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.555 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -114.79 122.04 5.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.498 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.9 mt -76.25 100.25 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.555 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.3 m-30 -111.78 166.29 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.7 p -65.09 174.4 2.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.28 -39.11 91.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -69.59 -32.53 71.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -107.99 21.29 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -78.13 -34.17 50.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.0 t -73.32 151.87 41.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HE2' ' C ' ' A' ' 33' ' ' ASP . 34.7 mttt -83.19 40.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -131.27 -38.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.9 m -67.43 -41.31 84.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.486 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 22.9 p-80 -103.4 28.16 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 32.78 47.57 0.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.46 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 50' ' ' GLY . 12.0 t -33.59 139.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.4 m -75.81 -16.61 60.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 9.5 t -78.93 107.72 11.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.436 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 21.9 mm100 -42.85 -37.72 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 20' ' ' GLN . 21.7 t -53.49 146.89 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' CYS . 95.4 mt-30 -96.47 -72.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.9 p-80 -37.14 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 20' ' ' GLN . 18.9 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 17' ' ' CYS . 14.1 p90 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.861 0.362 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 mt -94.6 126.87 45.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 125.78 12.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.731 2.287 . . . . 0.0 112.371 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -132.55 103.27 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.76 110.48 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.2 t -57.65 134.91 56.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -86.9 37.93 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.9 -50.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.7 p -124.8 18.38 8.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 t 53.14 37.69 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.577 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -105.67 121.28 6.73 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.8 mp -74.19 101.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.577 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.2 m-30 -113.98 171.21 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 20.7 p -69.93 -179.03 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 tp -65.18 -47.26 77.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -62.91 -35.24 79.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 31.6 m170 -102.53 13.9 33.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -66.03 -37.85 86.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.2 m -66.15 179.65 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.837 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 63.9 mttt -94.6 -67.15 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -41.28 -41.36 1.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.8 m -47.21 -43.8 21.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 51' ' ' CYS . 32.0 p-80 -114.08 34.81 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.11 42.79 0.28 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.524 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 17.9 t -35.04 146.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.35 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 m -81.46 -15.88 53.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 p80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.819 0.343 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 t -67.71 105.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.82 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.403 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 60.6 mm-40 -39.43 -36.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' CG1' ' NE2' ' A' ' 21' ' ' HIS . 21.2 t -54.54 138.88 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 22' ' ' CYS . 68.0 mm-40 -86.42 -73.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.465 ' NE2' ' CG1' ' A' ' 19' ' ' VAL . 31.6 p80 -35.35 -30.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 20' ' ' GLN . 52.3 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 40' ' ' CYS . 29.2 p90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -112.57 141.54 25.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 118.88 5.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -132.31 97.56 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -55.09 108.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.7 t -52.64 140.98 21.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -91.25 40.9 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.22 -54.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.8 p -117.51 21.77 12.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.9 t 48.32 35.78 6.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.52 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -105.11 120.38 6.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.9 mt -74.64 99.26 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.359 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.52 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.7 m-30 -110.35 164.34 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 17.3 p -61.71 175.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.17 -21.55 64.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -81.39 -33.56 32.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 44' ' ' ARG . 12.5 m170 -99.32 -16.03 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' CYS . 16.9 ptt85 -36.52 -39.97 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.06 145.0 54.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 32.3 mttp -66.88 -53.11 35.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -46.91 -51.03 17.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -43.67 -61.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 31.1 p-80 -92.52 31.33 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 30.25 48.12 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 50' ' ' GLY . 9.5 t -35.33 141.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.327 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.5 p -70.8 -28.49 64.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.9 p80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.857 0.36 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 15.0 t -75.39 98.84 3.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.519 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 24.4 mm-40 -34.93 -34.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 17' ' ' CYS . 42.6 t -55.36 151.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' CYS . 59.0 mt-30 -98.52 -69.35 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -37.29 -28.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' GLN . 15.1 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 17' ' ' CYS . 5.9 p90 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.868 0.365 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.95 128.47 49.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 114.69 3.79 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.246 . . . . 0.0 112.378 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -126.82 92.47 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 p -51.56 112.05 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.2 t -57.04 130.2 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.95 41.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.68 -58.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.54 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.3 p -114.34 19.55 16.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.792 0.33 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 95.9 p 51.43 34.73 12.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.574 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -103.93 121.33 7.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.4 mt -74.46 99.14 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.121 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.4 m-30 -112.58 163.23 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' HIS . 25.6 p -64.86 151.06 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 tt -43.93 -31.79 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -73.02 -35.0 66.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' CYS . 42.4 m170 -107.39 21.14 17.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -74.75 -33.4 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 m -67.57 146.85 53.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 40.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -131.97 -44.29 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -61.29 -38.82 88.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 51' ' ' CYS . 18.4 p-80 -104.95 28.88 6.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 33.63 53.09 0.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 17.3 t -45.77 135.12 7.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.361 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.4 p -68.73 -28.84 67.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.79 0.329 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -68.92 111.62 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.517 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 9.5 mm100 -41.36 -36.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 20' ' ' GLN . 48.8 t -53.84 154.04 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.472 ' N ' HG13 ' A' ' 19' ' ' VAL . 65.1 tp60 -100.37 -70.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -41.13 -28.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.449 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 18.0 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 p90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.901 0.381 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -88.39 128.29 53.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 120.81 7.53 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -131.95 101.54 5.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.4 p -60.36 114.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.7 t -60.18 131.94 52.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -82.6 41.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.07 -65.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.1 p -104.15 17.84 23.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 m 50.61 41.62 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -112.52 124.14 6.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.1 mt -77.44 99.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.361 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.3 m-30 -110.94 165.49 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 p -64.36 153.3 38.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 tt -43.38 -40.06 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.14 -37.89 84.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 43.5 m170 -101.96 18.39 20.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -71.92 -34.66 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.8 t -75.41 141.94 43.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 25.3 mttt -57.67 -61.82 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -40.88 -50.02 3.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.2 m -43.86 -50.74 7.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 29.0 p-80 -105.81 31.22 5.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.813 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 33.52 43.29 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.455 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 50' ' ' GLY . 19.5 t -31.1 135.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 t -58.47 -31.25 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 6.9 t -76.59 100.31 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.478 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 23.3 mm-40 -33.89 -36.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' CYS . 21.4 t -56.82 151.29 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' CYS . 10.4 tp-100 -98.39 -72.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' GLN . 17.4 p80 -35.63 -31.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.0 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 40' ' ' CYS . 3.7 p90 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.856 0.36 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -88.09 130.17 47.25 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.602 0.715 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 123.59 10.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -132.28 91.92 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 p -53.01 114.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.2 t -58.3 141.74 50.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.44 44.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.83 -63.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.53 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.0 p -104.4 17.41 24.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 t 49.3 37.97 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.542 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -107.45 122.42 6.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.5 mt -74.71 97.52 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.542 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.9 m-30 -108.41 166.51 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.478 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 30.0 p -68.7 161.88 27.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tt -52.04 -29.52 21.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -73.59 -36.08 65.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -107.93 19.01 20.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -69.24 -34.72 75.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.0 134.3 36.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.573 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 22.4 mttp -50.47 -54.57 21.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -42.96 -51.9 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 m -44.43 -57.59 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 27.0 p-80 -97.82 29.09 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 33.63 49.01 0.52 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 50' ' ' GLY . 7.7 t -32.93 135.96 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.7 p -64.68 -30.04 71.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.882 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.839 0.352 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.4 t -60.39 108.67 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.403 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 45.3 mm-40 -40.6 -37.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.5 t -46.23 149.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -102.88 -46.35 4.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.505 ' C ' ' ND1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -75.6 7.81 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 4.4 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.5 p90 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.933 0.397 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mt -89.38 119.39 69.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.629 0.728 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 127.26 14.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.397 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -143.31 116.08 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.6 p -69.09 108.09 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.9 t -55.78 123.62 14.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -79.25 43.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.57 -59.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.549 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.7 p -110.03 14.31 23.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t 54.91 38.2 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.524 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -110.66 121.75 5.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.0 mp -75.01 97.98 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.524 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.9 m-30 -108.97 164.83 12.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.3 p -64.15 -178.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.83 -47.34 78.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -64.3 -32.86 74.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 50.9 m170 -105.54 17.8 23.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -71.85 -38.76 70.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.3 p -68.67 170.63 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -103.05 40.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.17 -40.84 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.4 m -64.53 -40.51 95.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.438 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 24.1 p-80 -100.12 26.39 6.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 34.53 52.33 0.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . 8.2 t -41.69 133.8 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.919 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.8 m -74.83 -27.83 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.7 t -80.12 105.39 11.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.503 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 40.9 mt-30 -39.7 -37.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.561 HG11 ' CE1' ' A' ' 21' ' ' HIS . 40.2 t -53.07 150.72 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 22' ' ' CYS . 29.4 tt0 -96.68 -69.99 0.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.561 ' CE1' HG11 ' A' ' 19' ' ' VAL . 17.4 p80 -36.47 -29.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 20' ' ' GLN . 10.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 40' ' ' CYS . 51.4 p90 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.0 mt -98.64 128.04 33.93 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.612 0.72 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 117.63 5.21 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.324 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -122.93 94.24 4.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.0 p -46.28 114.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.6 t -63.65 127.29 30.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.55 43.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.92 -53.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.444 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.0 p -119.32 10.26 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m 60.87 35.26 19.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.49 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -105.37 126.76 8.75 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mt -77.98 100.62 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.898 0.38 . . . . 0.0 111.14 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.503 ' CE1' ' HB2' ' A' ' 18' ' ' GLN . 1.6 m-30 -112.36 177.25 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.582 ' HA ' ' CD2' ' A' ' 27' ' ' PHE . 24.1 p -77.47 -177.87 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 tp -66.48 -46.78 75.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.974 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -64.96 -29.62 70.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -110.81 16.21 21.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 40' ' ' CYS . 4.7 ptm180 -68.34 -34.4 76.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.9 p -71.67 178.27 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.57 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -91.4 -61.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -42.74 -46.89 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -45.02 -40.28 6.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 33.6 p-80 -118.46 33.22 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 35.02 41.24 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 16.7 t -34.48 147.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.7 m -72.64 -17.71 61.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.0 t -73.62 104.92 4.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.483 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 23.4 mm100 -37.92 -37.36 0.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.3 t -55.86 129.66 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 22' ' ' CYS . 18.4 mt-30 -79.42 -68.5 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -42.01 -24.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 1.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.0 p90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.1 mt -102.75 125.75 34.76 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.68 9.37 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.36 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -133.07 101.63 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 p -53.87 116.7 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.8 t -64.54 140.6 58.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -89.09 38.92 0.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.1 -58.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.436 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.8 p -112.77 21.82 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 m 46.23 42.47 10.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.563 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -110.72 122.5 6.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 mp -74.84 97.37 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.563 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.7 m-30 -108.47 169.06 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' HIS . 27.9 p -73.84 150.86 40.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 tt -43.12 -30.74 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.46 -37.69 68.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 33.7 m170 -107.17 18.96 21.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -68.56 -32.13 71.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.812 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.4 t -71.78 147.07 47.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 44.1 mttt -67.54 -55.21 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -46.7 -49.4 19.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -44.82 -50.84 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 25.3 p-80 -104.68 26.55 8.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.81 48.23 0.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.482 ' C ' ' O ' ' A' ' 50' ' ' GLY . 19.1 t -31.26 138.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 t -61.1 -21.91 64.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.825 0.345 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.0 t -70.28 104.02 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.435 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 17.0 mm100 -41.93 -35.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.12 143.18 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 22' ' ' CYS . 15.6 mm100 -92.62 -73.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.7 p-80 -34.77 -32.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' GLN . 37.0 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.1 p90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.2 mt -94.87 131.91 29.44 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.651 0.738 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 129.6 17.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -139.92 108.82 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 p -67.41 105.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.5 t -54.72 124.48 16.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.419 ' C ' ' HE2' ' A' ' 46' ' ' LYS . 1.4 m-20 -81.02 39.69 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.93 -59.5 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.0 p -110.23 12.21 23.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 t 58.23 38.72 26.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.538 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -113.2 123.83 6.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.5 mp -76.0 98.37 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.538 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.6 m-30 -110.16 163.27 13.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.7 p -64.92 156.55 30.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 tt -48.73 -32.48 8.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -32.93 63.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -109.2 21.5 17.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -76.47 -30.67 57.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.5 p -70.17 153.09 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HE2' ' C ' ' A' ' 33' ' ' ASP . 52.5 mttt -87.91 37.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -130.08 -38.76 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.8 p -64.32 -39.99 95.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' GLY . 30.5 p-80 -105.91 27.12 8.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.58 48.42 0.67 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLY . 6.1 t -34.09 131.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.9 m -64.59 -27.75 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 t -68.32 112.43 5.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 20.9 mt-30 -47.84 -35.6 10.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 20' ' ' GLN . 31.4 t -50.25 153.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.412 ' N ' HG13 ' A' ' 19' ' ' VAL . 98.2 mm-40 -96.62 -74.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.4 ' CE1' HG12 ' A' ' 19' ' ' VAL . 4.8 p-80 -37.93 -33.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.901 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 15.6 p90 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -108.28 130.06 23.26 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.601 0.715 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 123.82 10.5 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.664 2.242 . . . . 0.0 112.406 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -137.99 117.04 12.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.6 p -67.83 115.75 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.7 t -66.1 122.84 18.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -77.86 45.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -147.89 -53.14 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.7 p -117.05 9.04 13.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.0 t 60.12 39.2 19.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -112.04 123.58 6.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.532 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.08 96.91 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.6 m-30 -108.11 168.26 9.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 43' ' ' HIS . 25.1 p -72.55 149.57 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 tt -40.51 -36.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -69.63 -38.03 77.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 40' ' ' CYS . 45.9 m170 -102.7 19.73 18.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -70.93 -37.7 72.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.7 t -61.79 165.19 5.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -98.34 21.35 11.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -111.35 -39.36 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.9 m -60.47 -47.34 86.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' GLY . 33.1 p-80 -101.19 22.92 11.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 35.97 52.94 1.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 50' ' ' GLY . 4.7 t -34.4 128.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.347 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 m -71.57 -18.19 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.927 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.815 0.34 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.5 t -74.24 103.87 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.451 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 34.4 mm-40 -41.24 -37.35 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.424 HG13 ' NE2' ' A' ' 21' ' ' HIS . 11.6 t -54.16 145.01 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' HIS . 10.0 mm100 -94.02 -67.3 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' A' ' 22' ' ' CYS . 12.3 p80 -38.11 -33.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 39.8 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.1 p90 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.4 mt -99.3 124.95 43.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 126.01 12.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -138.71 110.21 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.3 p -65.4 109.92 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.7 t -58.7 126.53 28.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -80.88 41.74 0.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.1 -57.41 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.449 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.2 p -113.51 12.7 18.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.326 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.0 m 58.1 36.96 26.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.573 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -110.14 122.23 6.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.446 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.67 98.01 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.4 m-30 -109.79 163.98 13.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 43' ' ' HIS . 27.5 p -68.03 152.53 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 tt -43.48 -35.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -69.73 -36.57 75.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 33.3 m170 -106.17 21.08 17.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.2 ptt-85 -74.44 -30.34 61.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 m -68.72 150.91 47.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -86.23 35.26 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.34 -40.14 1.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.2 p -62.44 -40.77 97.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' GLY . 34.2 p-80 -102.32 23.71 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 37.53 51.25 1.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.3 t -40.44 126.18 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -64.81 -19.56 65.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.425 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 1.6 p-80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 t -73.59 103.18 4.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -45.71 -33.26 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.34 150.45 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' CYS . 21.0 tt0 -99.37 -72.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.2 p-80 -37.03 -29.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 20' ' ' GLN . 44.3 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 5.1 p90 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.9 mt -87.65 134.65 35.31 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.564 0.697 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.34 9.02 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -140.55 109.85 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 p -73.23 110.45 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.3 t -45.74 139.22 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -84.29 35.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.74 -59.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 p -108.88 23.79 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.9 p 40.05 49.03 2.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.61 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -114.34 119.04 4.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -65.96 94.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 111.18 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.61 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 2.5 m-30 -107.06 164.32 12.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 44' ' ' ARG . 25.3 p -71.52 162.17 29.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 tp -45.02 -50.07 10.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -60.33 -40.68 91.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -97.22 16.08 20.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 40' ' ' CYS . 14.0 ptt180 -66.84 -34.05 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -71.13 176.96 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.537 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 52.0 mttt -92.01 -64.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -42.49 -41.74 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -45.09 -47.85 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.537 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 44.1 p-80 -107.3 31.06 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 40.12 39.59 1.57 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.463 ' C ' ' O ' ' A' ' 50' ' ' GLY . 17.0 t -33.47 136.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.8 m -78.48 -28.12 46.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.0 p80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.6 t -61.23 99.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.428 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 5.7 mm100 -37.94 -35.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.5 t -53.47 138.74 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -90.27 -64.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -41.89 -32.27 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 6.9 p90 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.2 mt -97.14 138.41 21.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 118.75 5.87 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.639 2.226 . . . . 0.0 112.323 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -132.39 99.5 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 31' ' ' VAL . 3.2 p -58.73 122.11 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.5 t -66.33 142.73 57.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.18 40.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.407 ' HA3' ' SG ' ' A' ' 51' ' ' CYS . . . -145.37 -42.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.6 p -129.83 19.62 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.8 m 47.74 45.51 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.556 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -115.71 124.21 6.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.85 102.08 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.556 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.3 m-30 -115.42 163.05 16.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.9 p -57.22 -178.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 tp -65.9 -48.28 71.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.87 -38.04 86.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -100.43 18.69 18.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -72.74 -40.49 66.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 m -93.64 161.57 14.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -69.73 -172.83 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t0 61.67 24.98 14.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 t -134.98 -33.71 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -121.88 15.61 10.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.57 39.03 96.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.407 ' SG ' ' HA3' ' A' ' 34' ' ' GLY . 8.3 t -43.11 126.99 4.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -61.27 -35.4 77.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 p -117.14 105.72 12.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -99.18 -44.2 6.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.37 151.89 28.46 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.457 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -157.66 165.67 34.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 m -160.77 176.62 11.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.14 -154.28 7.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 40.4 mmm -141.25 161.63 37.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.51 86.6 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -122.79 98.52 5.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -158.18 130.48 7.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -76.13 122.6 24.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 mt -65.52 -38.01 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.03 116.9 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -119.63 155.14 32.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -134.34 165.36 25.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.6 t -76.65 110.04 10.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -43.77 -38.27 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 t -50.79 138.51 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 22' ' ' CYS . 8.8 mt-30 -86.25 -75.07 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' GLN . 5.7 p-80 -35.28 -32.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 20' ' ' GLN . 32.4 t -50.25 -71.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 58.9 42.04 20.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.424 ' CG ' ' SG ' ' A' ' 22' ' ' CYS . 9.6 mm100 -82.23 178.1 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -167.68 136.49 2.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.0 t0 71.49 41.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -109.95 170.57 7.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 mt -85.1 134.06 41.74 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.654 0.74 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.71 11.35 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.471 ' CG ' ' NH1' ' A' ' 44' ' ' ARG . 39.4 m-85 -141.66 111.71 6.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 p -73.63 123.48 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.8 t -65.48 129.86 41.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -79.47 43.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.63 -69.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.8 p -98.48 12.96 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m 53.12 43.91 31.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -112.59 126.2 7.43 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 mt -75.55 101.34 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.7 m-30 -112.2 165.71 11.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 p -66.28 178.85 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 tt -66.44 -36.66 83.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.42 -25.19 61.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -114.97 17.34 16.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.471 ' NH1' ' CG ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -68.24 -37.6 80.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.02 161.73 30.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -72.59 -59.79 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -49.83 -39.25 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.9 m -47.09 -34.81 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 51' ' ' CYS . 39.1 p-80 -125.19 25.32 7.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 40.98 44.04 3.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.522 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 26.8 t -33.1 139.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t -65.94 -27.16 67.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 51.38 48.35 23.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 p -100.12 -19.67 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -66.06 -42.63 89.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.7 m -94.01 96.05 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 58' ' ' LYS . 86.1 t -46.73 139.05 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 59' ' ' GLU . 33.0 mttt -45.07 161.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -37.17 107.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -129.36 150.94 76.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.604 0.716 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 124.68 11.3 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.0 -179.66 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -84.87 162.42 19.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.75 106.2 1.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.799 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -112.24 172.95 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -121.07 157.26 30.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -148.4 175.34 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.9 p -150.59 128.99 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -162.49 155.82 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -163.48 161.11 23.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.5 158.13 28.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -49.49 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 t -174.99 178.13 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.0 m -132.36 161.91 32.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.17 -0.794 . . . . 0.0 112.456 -179.979 . . . . . . . . 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 -0.276 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 m -140.93 158.77 43.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -117.87 118.29 31.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.31 -131.33 3.87 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -125.73 103.63 7.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.897 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -160.0 146.24 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.2 117.21 4.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -89.9 88.18 7.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.78 154.53 20.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.79 137.22 43.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.1 mt -124.93 -43.67 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 44.44 42.76 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.9 pt -92.46 -30.42 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 139.94 92.58 0.23 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -117.21 176.88 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -156.75 -179.93 8.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -80.17 106.49 12.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.47 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 79.0 mm-40 -38.78 -39.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.468 HG11 ' CE1' ' A' ' 21' ' ' HIS . 27.9 t -52.62 136.88 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -88.52 -55.14 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.468 ' CE1' HG11 ' A' ' 19' ' ' VAL . 13.8 p80 -52.0 -17.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.0 t -75.7 126.22 30.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -111.05 41.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -100.17 113.37 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -95.19 -43.37 8.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -103.62 81.74 1.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -131.97 177.85 7.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.1 mt -101.04 129.2 27.7 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 118.82 5.91 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -132.99 99.78 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 p -54.93 110.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.1 t -53.86 137.91 37.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -85.8 42.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.49 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -149.05 -57.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.5 p -113.38 18.24 17.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 t 49.69 38.58 15.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.58 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -106.76 120.14 6.15 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 83.6 mt -71.82 99.8 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.58 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.6 m-30 -112.1 162.94 14.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 43' ' ' HIS . 26.0 p -65.51 147.79 52.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tp -36.07 -49.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.78 -41.38 86.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 40' ' ' CYS . 34.2 m170 -96.32 16.73 17.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -66.35 -34.37 77.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 t -64.95 165.49 10.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.588 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 10.8 mttp -89.19 -60.5 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -43.33 -46.53 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.4 m -42.41 -52.7 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.588 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 34.1 p-80 -101.82 36.48 2.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 33.44 43.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLY . 13.6 t -35.6 137.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.8 m -67.74 -34.1 76.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 58.17 46.74 15.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 55' ' ' ASN . 8.5 p -89.03 -32.9 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 34' ' ' GLY . 19.4 m-20 -66.63 -60.31 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.2 m -69.21 93.6 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.9 t -74.1 133.63 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -38.21 109.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -62.97 113.73 3.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -54.34 161.87 1.84 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.713 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 88.74 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.99 43.64 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 t -88.21 133.43 34.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -127.49 82.28 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -160.65 151.73 18.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -85.73 42.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -141.49 124.52 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 86.8 p -167.18 165.44 15.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -94.1 -47.41 6.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.4 t -63.43 150.81 42.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.62 -146.76 17.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -27.11 26.84 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.322 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.3 t 69.31 42.0 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.9 t 60.84 42.87 12.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.495 -179.955 . . . . . . . . 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 1.452 -0.289 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -164.11 171.58 14.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -124.04 171.56 9.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.25 -161.67 8.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -106.84 152.47 23.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.369 . . . . 0.0 110.906 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 p -144.26 136.51 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.43 131.28 5.13 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -38.08 -43.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 55.35 34.58 23.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -147.72 146.77 29.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.9 mt -137.2 114.04 10.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -72.22 111.4 7.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 mm -103.95 117.28 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.66 -125.66 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.464 ' NE2' ' HB3' ' A' ' 29' ' ' PRO . 11.7 tt0 -142.77 138.53 30.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 16' ' ' HIS . 0.3 OUTLIER -167.73 -175.16 2.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.5 t -70.29 95.64 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.432 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 22.2 mm-40 -39.76 -35.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.567 HG12 ' CE1' ' A' ' 21' ' ' HIS . 24.1 t -51.8 145.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.434 ' N ' HG13 ' A' ' 19' ' ' VAL . 2.1 pm0 -104.35 -33.96 8.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.567 ' CE1' HG12 ' A' ' 19' ' ' VAL . 4.5 p80 -72.0 -11.13 60.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 50.7 t -81.6 132.09 35.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -110.52 43.57 1.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -90.83 134.0 34.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -104.0 -63.74 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -106.19 86.59 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 40' ' ' CYS . 48.6 p90 -119.51 177.35 4.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt -99.69 133.82 21.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.464 ' HB3' ' NE2' ' A' ' 15' ' ' GLN . 53.7 Cg_endo -69.78 117.04 4.85 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -131.82 93.32 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -52.9 111.78 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.4 t -54.98 133.65 48.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -83.03 37.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.32 -65.8 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.0 p -106.01 21.02 18.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.362 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.4 p 49.57 33.42 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.554 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -99.22 121.54 7.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.456 HG22 ' NE2' ' A' ' 15' ' ' GLN . 4.7 mp -74.6 98.41 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 111.131 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.554 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.5 m-30 -111.35 165.54 11.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.419 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 31.2 p -65.55 -176.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 tp -68.68 -44.63 73.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -66.26 -23.87 66.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 32.8 m170 -116.39 17.46 15.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -69.88 -29.74 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -76.5 174.59 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.552 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 18.7 mttp -87.57 -61.03 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -44.28 -42.06 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.1 p -46.59 -42.89 16.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 46.8 p-80 -115.27 27.13 9.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 39.32 42.75 1.86 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.531 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 50' ' ' GLY . 8.7 t -33.93 143.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.371 . . . . 0.0 110.839 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 m -81.77 -25.49 35.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 51.88 51.28 16.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 p -98.37 -23.13 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -64.69 -46.28 83.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.9 103.65 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.4 t -88.88 144.77 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -40.13 154.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -39.8 152.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 6.5 mpt_? 60.64 52.91 3.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 60' ' ' ARG . 54.0 Cg_endo -69.75 -2.62 10.49 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.343 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -75.87 136.13 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 64' ' ' ASP . 59.7 m -85.24 113.31 21.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -34.16 143.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 51.53 50.0 19.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -80.83 121.78 26.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -111.51 106.87 15.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 t -135.26 142.64 45.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -86.01 157.4 20.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.6 t -154.29 155.07 34.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.54 151.5 6.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -48.48 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.7 t 52.47 43.81 30.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.6 m -123.8 157.8 33.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.545 -179.958 . . . . . . . . 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 1.452 -0.282 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 t -171.15 153.9 3.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -145.35 166.54 25.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.6 111.19 0.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -61.68 167.94 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.819 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -140.43 163.86 31.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.45 156.67 16.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 mmt -135.38 118.06 16.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 110.821 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.03 132.11 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -147.27 124.05 11.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 mt -151.25 131.69 13.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -108.87 166.84 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 pt -108.4 121.11 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.87 80.62 0.34 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -54.1 159.39 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -104.99 177.14 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 t -79.73 110.65 15.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -47.73 -37.18 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.498 HG13 ' CE1' ' A' ' 21' ' ' HIS . 25.2 t -55.82 134.57 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' CYS . 11.3 mm-40 -86.07 -68.53 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.498 ' CE1' HG13 ' A' ' 19' ' ' VAL . 28.1 p80 -38.06 -29.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.459 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 9.3 t -55.86 125.15 20.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -116.74 39.7 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -83.84 150.4 25.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.7 134.88 30.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 71.66 43.97 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -101.83 170.68 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mp -102.11 140.8 21.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.576 0.703 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 122.55 9.22 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -134.88 95.07 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.2 p -54.65 111.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.7 t -59.93 127.78 33.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -82.99 36.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.19 -48.86 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.532 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.8 p -124.67 15.25 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t 54.31 48.66 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.568 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -123.43 121.05 4.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mp -70.61 95.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 2.3 m-30 -107.48 163.99 12.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.5 p -72.85 154.76 40.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 tt -45.19 -32.02 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.05 -38.25 66.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.459 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 32.7 m170 -104.83 21.42 16.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 -75.07 -36.45 61.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -61.22 158.05 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -92.59 39.68 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.26 -40.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.9 p -60.28 -29.32 68.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.486 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 27.3 p-80 -120.46 30.8 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 33.16 52.37 0.53 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.447 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 9.5 t -45.43 133.77 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -68.86 -28.08 66.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 55.26 46.09 24.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -89.54 -35.35 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -58.11 -42.71 86.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.6 p -116.14 107.21 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 58' ' ' LYS . 89.3 t -101.83 141.19 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' N ' HG12 ' A' ' 57' ' ' VAL . 10.4 mtpp -65.71 110.97 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -37.79 139.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -77.85 136.23 62.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.83 55.34 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.718 2.279 . . . . 0.0 112.324 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -86.54 150.81 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.7 p -140.3 134.86 31.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.173 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -85.12 126.59 33.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -69.67 157.29 37.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -40.03 154.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -94.26 176.68 6.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.475 ' O ' ' C ' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -51.08 161.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.516 ' CE1' ' O ' ' A' ' 70' ' ' SER . 6.2 t80 -32.28 132.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.516 ' O ' ' CE1' ' A' ' 69' ' ' TYR . 8.4 t -119.32 176.09 5.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.95 129.08 45.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 166.05 28.88 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.742 2.295 . . . . 0.0 112.362 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 m -93.79 175.92 6.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.7 p -120.97 134.37 55.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.507 179.94 . . . . . . . . 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 1.451 -0.323 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -169.57 146.69 3.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.821 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 p -145.63 172.87 12.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.99 127.79 0.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -142.55 148.42 37.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -145.17 163.06 35.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.75 -168.76 18.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.3 mtp 63.38 42.13 7.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -15.82 59.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 64.13 31.75 13.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 mp -142.85 113.42 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.78 81.36 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.7 mt -109.12 112.06 38.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.32 -126.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -75.87 136.4 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.35 . . . . 0.0 110.927 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -134.36 159.34 41.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.47 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 17.4 t -71.2 108.22 4.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 23.4 mm-40 -41.89 -33.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.468 HG11 ' CE1' ' A' ' 21' ' ' HIS . 18.2 t -60.48 128.14 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 22' ' ' CYS . 4.1 tp60 -78.03 -74.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.468 ' CE1' HG11 ' A' ' 19' ' ' VAL . 4.6 p-80 -33.06 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' GLN . 21.2 t -46.97 125.66 7.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' O ' ' CD ' ' A' ' 23' ' ' ARG . 1.5 ppt_? -104.29 34.66 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -105.13 136.16 45.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -122.06 -46.7 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -98.05 84.86 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 17' ' ' CYS . 5.1 p90 -135.86 179.08 6.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -99.86 140.86 21.86 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.635 0.731 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 117.83 5.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -131.84 95.47 3.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -55.38 114.58 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.5 t -58.54 133.85 56.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -82.35 36.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.413 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -142.48 -69.0 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.516 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.6 p -98.6 9.45 43.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 m 59.77 31.06 20.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -99.76 124.95 8.4 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.6 mt -76.75 97.71 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.893 0.378 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.5 m-30 -109.81 169.31 8.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 27' ' ' PHE . 18.5 p -66.58 -178.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.36 -46.49 79.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.47 -33.66 76.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -105.21 15.92 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 -67.36 -40.53 85.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -70.93 158.1 37.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.598 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 3.3 mtmp? -74.62 -59.45 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -47.43 -38.85 14.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.1 m -51.45 -49.16 62.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.598 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 34.4 p-80 -104.06 27.4 7.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 38.5 43.57 1.57 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.467 ' CB ' ' HG2' ' A' ' 46' ' ' LYS . 11.1 t -33.45 145.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -69.38 -20.35 63.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 47.61 46.31 17.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.51 -18.1 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 57' ' ' VAL . 76.0 m-20 -76.03 -48.7 19.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.4 m -63.61 73.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' ASN . 90.9 t -136.75 132.97 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -108.06 124.02 49.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -109.16 141.91 40.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -42.42 119.51 2.35 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.574 0.702 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 142.39 47.83 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.691 2.26 . . . . 0.0 112.34 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -93.92 133.81 36.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -141.36 153.37 45.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.76 111.9 1.62 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -42.29 136.72 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -135.73 156.28 49.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -105.99 170.92 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -141.89 148.98 39.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -104.97 177.7 4.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 t -133.79 172.43 12.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.09 157.73 20.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -177.19 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.256 . . . . 0.0 112.346 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -140.74 176.01 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -134.13 151.41 51.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.457 -179.969 . . . . . . . . 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 -0.316 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -92.97 110.33 21.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -157.65 107.89 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.59 -178.5 23.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.443 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -122.83 99.09 6.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.362 . . . . 0.0 110.876 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -88.97 99.62 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.66 121.98 5.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.6 mmm -98.37 -51.5 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' C ' ' OE1' ' A' ' 10' ' ' GLU . . . -83.52 145.9 28.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' OE1' ' C ' ' A' ' 9' ' ' ALA . 10.5 mp0 -143.13 130.7 21.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -163.13 131.53 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -112.44 152.46 28.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mt -68.67 105.9 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.83 54.7 0.61 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' CG ' HD13 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -81.86 155.66 25.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -145.98 151.99 38.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -79.77 103.73 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.443 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 18.2 mm-40 -39.07 -38.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.4 t -50.63 153.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 22' ' ' CYS . 89.8 mm-40 -100.39 -74.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.6 p-80 -35.2 -31.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 20' ' ' GLN . 54.1 t -55.46 134.48 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -126.87 40.92 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -83.82 117.76 23.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -81.75 -63.77 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -105.04 89.03 3.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -123.9 176.5 6.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.1 mt -107.33 132.43 20.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.576 0.703 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 122.54 9.21 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -134.25 104.06 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.98 110.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.7 t -57.81 129.14 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -80.23 41.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.72 -61.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -110.25 14.44 22.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 t 56.4 39.0 30.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.573 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -108.77 120.63 5.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.502 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.412 HD13 ' CG ' ' A' ' 15' ' ' GLN . 72.6 mt -73.93 102.88 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.824 0.345 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.2 m-30 -114.71 164.04 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.4 p -63.11 178.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.85 -48.85 77.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -61.15 -34.0 74.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.418 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 45.4 m170 -105.08 17.4 24.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -68.62 -37.03 79.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.0 t -72.34 163.45 27.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 14.8 mttp -80.16 -60.09 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -41.71 -39.86 1.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.5 t -52.66 -45.82 66.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 31.9 p-80 -109.91 32.81 4.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.4 42.86 0.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.518 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 19.8 t -33.86 141.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.1 m -73.02 -20.99 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 56.9 48.52 15.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.89 -50.45 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -77.06 -40.73 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.5 m -86.62 74.41 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.5 t -76.8 144.88 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -75.97 51.36 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -118.86 81.67 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -103.57 146.55 32.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 62' ' ' LYS . 54.2 Cg_endo -69.74 -173.76 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 61' ' ' PRO . 28.3 mtmm -36.71 142.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.3 p -46.13 120.82 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' GLU . 2.2 t70 -105.9 175.77 5.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' ASP . 1.7 tm-20 -37.23 124.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.434 ' CG ' ' H ' ' A' ' 67' ' ' LYS . 8.1 t-80 -128.05 174.17 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.434 ' H ' ' CG ' ' A' ' 66' ' ' HIS . 24.3 mtpt -56.53 155.04 7.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -73.9 169.13 18.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -44.79 109.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 t -95.77 169.4 10.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.8 110.02 2.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 168.79 20.5 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.1 m -76.19 153.52 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 m -122.05 167.24 13.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.534 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -128.12 176.92 7.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.832 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -149.69 144.26 25.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.39 -136.76 2.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -152.87 176.14 12.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.838 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 m -133.22 145.95 51.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.18 -155.88 11.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.9 mtt -157.39 153.72 27.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.78 146.75 30.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -111.02 87.03 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.4 mt -123.25 42.53 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -133.61 138.27 45.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 pt -92.28 -24.8 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.75 83.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -57.81 157.96 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -145.01 179.58 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 7.5 t -67.66 104.72 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.435 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 10.7 mm100 -44.98 -34.28 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.403 ' CG1' ' HD1' ' A' ' 21' ' ' HIS . 60.3 t -50.95 144.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' CYS . 2.9 mp0 -93.7 -72.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.403 ' HD1' ' CG1' ' A' ' 19' ' ' VAL . 4.7 p-80 -38.29 -29.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' GLN . 53.7 t -54.82 150.72 9.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -133.47 39.54 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -112.29 133.3 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -121.76 -62.95 1.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -77.3 47.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 17' ' ' CYS . 17.5 p90 -102.16 -179.51 4.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 mt -92.43 125.56 55.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 117.91 5.36 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -129.41 106.18 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.96 108.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.8 t -56.55 126.34 26.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' C ' ' HE2' ' A' ' 46' ' ' LYS . 83.2 m-20 -81.43 40.22 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -141.17 -59.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -111.1 16.67 20.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 m 53.59 40.89 32.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.555 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -114.79 122.04 5.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.498 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.9 mt -76.25 100.25 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.555 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.3 m-30 -111.78 166.29 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.7 p -65.09 174.4 2.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.28 -39.11 91.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -69.59 -32.53 71.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -107.99 21.29 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -78.13 -34.17 50.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.0 t -73.32 151.87 41.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HE2' ' C ' ' A' ' 33' ' ' ASP . 34.7 mttt -83.19 40.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -131.27 -38.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.9 m -67.43 -41.31 84.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.486 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 22.9 p-80 -103.4 28.16 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 32.78 47.57 0.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.46 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 50' ' ' GLY . 12.0 t -33.59 139.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.4 m -75.81 -16.61 60.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 52.75 49.96 19.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 58' ' ' LYS . 61.2 t -74.51 -31.16 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -83.74 -28.95 27.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.464 ' O ' ' C ' ' A' ' 57' ' ' VAL . 22.7 t -61.69 94.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 56' ' ' VAL . 14.6 p 32.29 47.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' GLU . 22.4 ttmt -143.86 144.21 31.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.6 mp0 -36.48 112.24 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -117.75 146.28 38.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 172.55 12.41 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.628 2.219 . . . . 0.0 112.359 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -133.97 43.47 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.1 p -83.01 -62.59 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -53.85 -175.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 62.2 47.42 5.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -72.4 -51.16 21.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -63.06 157.98 20.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.0 t -150.12 133.76 16.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.6 t80 66.07 52.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.2 t -122.78 95.52 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.84 119.04 2.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 141.43 45.1 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.9 t -93.96 128.89 40.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.3 p -91.1 177.29 6.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.206 -0.774 . . . . 0.0 112.439 -179.987 . . . . . . . . 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 -0.354 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 m -125.67 169.63 12.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.854 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 p -95.19 152.13 18.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.0 -167.29 17.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -141.06 152.04 44.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.922 0.391 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -142.11 125.56 16.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.26 109.9 2.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.412 ' C ' ' OE2' ' A' ' 10' ' ' GLU . 66.9 mtm -93.22 90.17 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.451 ' N ' ' OE2' ' A' ' 10' ' ' GLU . . . -113.12 79.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 9' ' ' ALA . 1.5 pm0 -167.0 127.42 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mp -111.47 -41.74 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' ILE . 9.7 t70 40.53 41.43 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' ASP . 49.3 mm -33.91 -38.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.73 -129.46 1.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -131.37 177.97 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -96.99 168.53 10.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 9.5 t -78.93 107.72 11.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 21.9 mm100 -42.85 -37.72 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 20' ' ' GLN . 21.7 t -53.49 146.89 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' CYS . 95.4 mt-30 -96.47 -72.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.9 p-80 -37.14 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 20' ' ' GLN . 18.9 t -52.4 122.12 8.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -109.2 43.7 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -93.67 155.76 17.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 -149.23 147.89 28.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.11 46.02 27.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 17' ' ' CYS . 14.1 p90 -102.31 176.72 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 mt -94.6 126.87 45.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 125.78 12.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.731 2.287 . . . . 0.0 112.371 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -132.55 103.27 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.76 110.48 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.2 t -57.65 134.91 56.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -86.9 37.93 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.9 -50.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.7 p -124.8 18.38 8.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 t 53.14 37.69 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.577 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -105.67 121.28 6.73 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.8 mp -74.19 101.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.577 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.2 m-30 -113.98 171.21 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 20.7 p -69.93 -179.03 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 tp -65.18 -47.26 77.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -62.91 -35.24 79.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 31.6 m170 -102.53 13.9 33.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -66.03 -37.85 86.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.2 m -66.15 179.65 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.837 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 63.9 mttt -94.6 -67.15 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -41.28 -41.36 1.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.8 m -47.21 -43.8 21.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 51' ' ' CYS . 32.0 p-80 -114.08 34.81 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.11 42.79 0.28 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.524 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 17.9 t -35.04 146.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.35 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 m -81.46 -15.88 53.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 54.69 50.07 16.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.4 t -87.73 -49.77 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -52.68 -39.29 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.4 t -76.52 93.62 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -104.33 131.32 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -67.87 136.42 54.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -128.63 51.05 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.04 129.0 1.23 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -7.34 20.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -80.1 172.81 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.0 t -147.46 162.11 39.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -49.12 162.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -153.15 157.32 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -61.78 169.07 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 68' ' ' SER . 0.2 OUTLIER -137.73 146.03 43.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.435 ' N ' ' HD2' ' A' ' 67' ' ' LYS . 15.8 t -65.92 150.03 49.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -73.55 174.46 8.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.2 m -151.59 170.5 19.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.95 115.02 3.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -177.49 1.91 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.673 2.248 . . . . 0.0 112.317 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.4 t -147.3 175.61 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.0 p -163.63 174.37 11.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.166 -0.796 . . . . 0.0 112.494 -179.974 . . . . . . . . 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 1.452 -0.28 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -158.42 145.29 17.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.376 . . . . 0.0 110.874 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -129.24 145.64 51.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.88 63.5 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.453 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m -93.97 101.29 13.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.84 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -99.97 164.07 12.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.12 -173.68 13.66 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.527 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.2 mmm -149.71 141.48 23.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.46 116.15 31.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.078 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -121.6 125.34 46.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.4 mt -109.14 86.81 2.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' ILE . 1.7 m-20 38.18 42.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' ASP . 7.5 pt -36.24 112.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.113 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 132.42 118.62 1.97 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -93.13 138.48 31.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.335 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -131.32 175.51 9.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 t -67.71 105.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.82 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.403 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 60.6 mm-40 -39.43 -36.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' CG1' ' NE2' ' A' ' 21' ' ' HIS . 21.2 t -54.54 138.88 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 22' ' ' CYS . 68.0 mm-40 -86.42 -73.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.465 ' NE2' ' CG1' ' A' ' 19' ' ' VAL . 31.6 p80 -35.35 -30.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 20' ' ' GLN . 52.3 t -61.5 -70.35 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 56.47 41.26 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -83.81 156.99 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -134.85 -50.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -75.52 49.68 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 40' ' ' CYS . 29.2 p90 -127.56 177.44 6.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -112.57 141.54 25.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 118.88 5.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -132.31 97.56 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -55.09 108.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.7 t -52.64 140.98 21.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -91.25 40.9 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . -146.22 -54.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.8 p -117.51 21.77 12.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.9 t 48.32 35.78 6.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.52 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -105.11 120.38 6.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.9 mt -74.64 99.26 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.359 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.52 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.7 m-30 -110.35 164.34 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 17.3 p -61.71 175.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.17 -21.55 64.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -81.39 -33.56 32.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 44' ' ' ARG . 12.5 m170 -99.32 -16.03 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' CYS . 16.9 ptt85 -36.52 -39.97 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.06 145.0 54.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 32.3 mttp -66.88 -53.11 35.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -46.91 -51.03 17.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -43.67 -61.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 31.1 p-80 -92.52 31.33 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 30.25 48.12 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 50' ' ' GLY . 9.5 t -35.33 141.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.327 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.5 p -70.8 -28.49 64.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 56.36 46.82 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -107.41 -41.35 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 15.4 t-20 -43.08 -57.52 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.9 m -69.16 84.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -99.43 38.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -119.52 111.03 17.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -166.88 147.77 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -150.84 131.9 7.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.561 0.696 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 111.27 2.76 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -77.87 -50.58 11.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.0 t -69.24 157.21 37.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.9 t70 46.15 50.41 11.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -85.02 114.58 22.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -161.61 156.61 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.28 168.18 9.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.7 p -90.05 170.5 10.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -121.32 169.24 10.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.3 p -127.65 172.24 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -155.48 149.0 19.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -174.01 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.659 2.24 . . . . 0.0 112.308 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.0 t -170.01 166.44 9.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.2 165.69 12.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.828 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.494 -179.973 . . . . . . . . 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 -0.324 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 t -164.85 136.45 4.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 p -155.84 168.0 28.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.68 153.59 6.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -149.58 177.76 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -101.67 164.6 11.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.3 -123.38 3.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.79 153.18 32.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.83 118.28 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -128.75 102.15 6.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mp -97.68 38.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.66 103.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 pt -105.92 122.1 59.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.9 106.74 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -90.92 151.5 21.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -147.87 173.83 12.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 15.0 t -75.39 98.84 3.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.519 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 24.4 mm-40 -34.93 -34.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 17' ' ' CYS . 42.6 t -55.36 151.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' CYS . 59.0 mt-30 -98.52 -69.35 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -37.29 -28.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' GLN . 15.1 t -61.63 153.16 28.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 4.7 ptp180 -117.67 -33.41 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -38.43 131.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -115.92 -59.21 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -94.29 82.13 4.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 17' ' ' CYS . 5.9 p90 -125.36 -175.62 3.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.95 128.47 49.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 114.69 3.79 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.246 . . . . 0.0 112.378 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -126.82 92.47 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 p -51.56 112.05 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.2 t -57.04 130.2 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.95 41.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.68 -58.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.54 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.3 p -114.34 19.55 16.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.792 0.33 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 95.9 p 51.43 34.73 12.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.574 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -103.93 121.33 7.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.4 mt -74.46 99.14 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.121 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.4 m-30 -112.58 163.23 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' HIS . 25.6 p -64.86 151.06 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 tt -43.93 -31.79 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -73.02 -35.0 66.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' CYS . 42.4 m170 -107.39 21.14 17.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -74.75 -33.4 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 m -67.57 146.85 53.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 40.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -131.97 -44.29 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -61.29 -38.82 88.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 51' ' ' CYS . 18.4 p-80 -104.95 28.88 6.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 33.63 53.09 0.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 17.3 t -45.77 135.12 7.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.361 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.4 p -68.73 -28.84 67.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 62.2 46.83 5.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.6 -50.69 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -53.88 -46.06 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.8 m -110.17 105.76 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 58' ' ' LYS . 89.4 t -123.27 135.26 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.417 ' N ' HG12 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -56.49 140.5 45.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -118.84 134.76 54.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -77.23 155.09 82.27 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.631 0.729 . . . . 0.0 110.828 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 155.09 66.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -108.05 127.26 53.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.3 p -139.44 174.24 10.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.75 146.52 4.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -91.08 171.3 9.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -95.97 143.34 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.43 146.14 46.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.1 m -125.91 162.18 25.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -150.79 171.55 17.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 54.5 p -134.07 152.71 51.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.46 136.22 5.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -173.19 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.9 m -154.21 155.41 35.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.92 161.6 14.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.827 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.532 -179.99 . . . . . . . . 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 -0.344 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.3 m -152.42 172.85 15.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.835 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -147.11 168.95 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.83 178.04 26.66 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.447 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -139.63 147.98 41.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -142.44 134.88 27.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.41 148.24 18.9 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -100.08 138.33 37.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.84 127.03 24.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' ASP . 9.3 pt-20 -102.15 83.27 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -53.02 88.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' GLU . 25.7 t70 -64.67 93.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.4 mt -76.24 61.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.14 116.94 1.25 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.469 ' NE2' ' HB ' ' A' ' 38' ' ' ILE . 14.1 tm0? -78.17 159.02 28.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -137.01 146.05 44.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -68.92 111.62 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.517 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 9.5 mm100 -41.36 -36.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 20' ' ' GLN . 48.8 t -53.84 154.04 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.472 ' N ' HG13 ' A' ' 19' ' ' VAL . 65.1 tp60 -100.37 -70.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -41.13 -28.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.451 ' SG ' ' CG ' ' A' ' 24' ' ' GLN . 18.0 t -56.71 -71.83 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 62.16 42.89 9.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.451 ' CG ' ' SG ' ' A' ' 22' ' ' CYS . 8.1 mm100 -84.24 172.01 12.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -163.26 137.86 6.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t70 70.97 43.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -113.4 174.62 5.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -88.39 128.29 53.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 120.81 7.53 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -131.95 101.54 5.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.4 p -60.36 114.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.7 t -60.18 131.94 52.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -82.6 41.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.435 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -146.07 -65.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.5 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.1 p -104.15 17.84 23.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 m 50.61 41.62 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -112.52 124.14 6.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.469 ' HB ' ' NE2' ' A' ' 15' ' ' GLN . 82.1 mt -77.44 99.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.361 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.3 m-30 -110.94 165.49 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 p -64.36 153.3 38.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 tt -43.38 -40.06 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.14 -37.89 84.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 43.5 m170 -101.96 18.39 20.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -71.92 -34.66 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.8 t -75.41 141.94 43.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 25.3 mttt -57.67 -61.82 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -40.88 -50.02 3.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.2 m -43.86 -50.74 7.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 29.0 p-80 -105.81 31.22 5.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.813 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 33.52 43.29 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.455 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 50' ' ' GLY . 19.5 t -31.1 135.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 t -58.47 -31.25 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 56.81 45.33 21.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -94.78 -27.98 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 34' ' ' GLY . 29.8 m-20 -60.16 -42.19 94.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.5 m -94.42 40.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.1 p -82.52 140.53 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -85.32 85.22 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.7 153.88 49.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -64.71 144.63 98.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 171.83 13.74 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.716 2.277 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -40.01 143.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' ASP . 29.3 m -86.63 159.38 19.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 63' ' ' THR . 39.0 t70 -34.97 141.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -43.28 121.54 2.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' LYS . 80.7 m-70 -90.83 179.88 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' HIS . 25.9 mtpp -37.3 -56.96 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.7 p 43.13 43.39 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -78.74 166.02 22.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.8 p -168.17 173.67 7.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -154.01 133.46 3.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -35.58 12.38 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.297 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t 43.69 40.74 3.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.1 p -72.31 175.19 6.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.806 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.501 -179.963 . . . . . . . . 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 . . . . . 0.406 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.9 t -37.69 -58.51 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t 64.95 43.26 3.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.828 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.23 151.04 20.38 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 p -120.98 166.81 13.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 t -81.84 154.48 25.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.1 156.73 27.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.9 ttt -154.46 152.33 30.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.37 125.21 20.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -150.4 105.96 3.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.0 mt -146.8 127.17 13.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -61.99 122.95 16.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.3 mm -99.6 116.68 43.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.87 103.18 1.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.518 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.1 174.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -125.16 176.28 6.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 6.9 t -76.59 100.31 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.478 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 23.3 mm-40 -33.89 -36.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' CYS . 21.4 t -56.82 151.29 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' CYS . 10.4 tp-100 -98.39 -72.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' GLN . 17.4 p80 -35.63 -31.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.0 t -58.16 119.09 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' GLN . 88.6 mtt-85 -87.11 -27.26 23.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' ARG . 1.9 mp0 -37.41 148.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -153.92 171.39 19.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' ARG . 12.7 t0 36.05 47.74 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 40' ' ' CYS . 3.7 p90 -105.13 -175.26 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -88.09 130.17 47.25 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.602 0.715 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 123.59 10.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -132.28 91.92 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 p -53.01 114.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.2 t -58.3 141.74 50.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.44 44.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -152.83 -63.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.53 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.0 p -104.4 17.41 24.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 t 49.3 37.97 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.542 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -107.45 122.42 6.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.5 mt -74.71 97.52 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.542 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.9 m-30 -108.41 166.51 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.478 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 30.0 p -68.7 161.88 27.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tt -52.04 -29.52 21.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -73.59 -36.08 65.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -107.93 19.01 20.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -69.24 -34.72 75.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.0 134.3 36.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.573 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 22.4 mttp -50.47 -54.57 21.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -42.96 -51.9 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 m -44.43 -57.59 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 27.0 p-80 -97.82 29.09 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 33.63 49.01 0.52 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 50' ' ' GLY . 7.7 t -32.93 135.96 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.7 p -64.68 -30.04 71.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 57.98 44.21 19.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.88 -32.38 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 34' ' ' GLY . 33.7 m-20 -60.71 -44.77 96.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.6 m -106.59 103.75 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -89.37 131.99 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -48.46 173.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -46.77 133.82 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.7 mmm-85 -37.74 142.78 0.41 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -91.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -40.04 -71.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.0 t -67.29 92.13 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.36 154.23 3.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -82.25 103.02 11.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -93.87 148.67 21.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -140.43 150.25 43.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.6 t -151.55 140.07 20.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -83.21 -48.54 10.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.5 m 61.63 48.84 5.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.36 122.36 6.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 157.68 59.49 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.637 2.225 . . . . 0.0 112.347 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.8 m -127.48 162.35 26.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.3 t -167.33 165.06 15.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.481 -179.963 . . . . . . . . 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 -0.304 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -119.2 173.93 6.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.889 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 p -149.31 165.56 31.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.53 139.67 2.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -159.99 137.64 9.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 m -141.44 151.26 43.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.26 167.31 25.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.36 133.64 20.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.36 168.13 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -173.19 137.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.7 mt -113.67 102.72 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -64.91 83.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.6 pt -108.11 126.29 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 40.72 73.57 0.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.503 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -63.06 158.96 18.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.946 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -103.68 148.96 25.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.4 t -60.39 108.67 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.403 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 45.3 mm-40 -40.6 -37.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.5 t -46.23 149.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -102.88 -46.35 4.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.505 ' C ' ' ND1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -75.6 7.81 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.487 ' SG ' ' CG ' ' A' ' 24' ' ' GLN . 4.4 t -88.23 -54.17 4.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 38.38 44.97 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.487 ' CG ' ' SG ' ' A' ' 22' ' ' CYS . 8.2 mm-40 -75.44 158.66 32.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' ASP . 27.8 mmt180 -118.94 141.5 48.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' ARG . 7.5 m-20 34.62 54.97 0.68 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -92.9 171.78 8.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mt -89.38 119.39 69.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.629 0.728 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 127.26 14.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.397 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -143.31 116.08 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.6 p -69.09 108.09 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.9 t -55.78 123.62 14.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -79.25 43.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.57 -59.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.549 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.7 p -110.03 14.31 23.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t 54.91 38.2 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.524 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -110.66 121.75 5.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.0 mp -75.01 97.98 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.524 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.9 m-30 -108.97 164.83 12.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.3 p -64.15 -178.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.83 -47.34 78.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -64.3 -32.86 74.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 50.9 m170 -105.54 17.8 23.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -71.85 -38.76 70.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.3 p -68.67 170.63 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -103.05 40.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.17 -40.84 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.4 m -64.53 -40.51 95.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.438 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 24.1 p-80 -100.12 26.39 6.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 34.53 52.33 0.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . 8.2 t -41.69 133.8 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.919 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.8 m -74.83 -27.83 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 54.53 46.11 25.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.452 HG11 ' N ' ' A' ' 55' ' ' ASN . 8.1 p -87.55 -40.43 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.452 ' N ' HG11 ' A' ' 54' ' ' VAL . 4.2 m-20 -44.65 -57.18 3.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.9 m -81.87 40.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.443 HG21 ' N ' ' A' ' 58' ' ' LYS . 14.2 p -42.98 143.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' N ' HG21 ' A' ' 57' ' ' VAL . 4.6 ptmt -58.73 140.91 54.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 60' ' ' ARG . 5.7 mm-40 -107.33 175.36 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 59' ' ' GLU . 20.2 ttt180 -34.32 135.67 0.37 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.716 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 160.9 47.99 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -167.32 129.33 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.7 p -45.76 101.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -83.72 140.65 31.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.35 170.85 6.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.401 ' NE2' ' C ' ' A' ' 68' ' ' SER . 0.9 OUTLIER -90.6 139.63 30.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -100.22 -62.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.401 ' C ' ' NE2' ' A' ' 66' ' ' HIS . 66.2 m -138.94 164.46 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -135.03 168.91 18.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.8 p -128.2 177.89 6.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -125.92 133.98 8.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.498 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.7 p -138.58 176.42 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 87.6 p -119.42 174.54 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.501 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -149.1 111.1 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.824 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.9 t -171.19 160.72 6.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.76 129.39 4.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -141.61 137.72 32.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -149.31 176.68 10.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.48 132.27 3.66 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.2 mtt -87.13 165.67 15.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.14 136.17 49.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -131.12 109.67 10.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.5 mt -140.83 114.22 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.8 102.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.2 mt -92.96 105.22 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.57 86.79 0.29 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.512 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -52.18 174.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -133.55 175.15 9.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.7 t -80.12 105.39 11.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.503 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 40.9 mt-30 -39.7 -37.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.561 HG11 ' CE1' ' A' ' 21' ' ' HIS . 40.2 t -53.07 150.72 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 22' ' ' CYS . 29.4 tt0 -96.68 -69.99 0.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.561 ' CE1' HG11 ' A' ' 19' ' ' VAL . 17.4 p80 -36.47 -29.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 20' ' ' GLN . 10.9 t -62.04 159.37 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -128.86 -31.69 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -42.12 128.15 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -121.9 -48.3 2.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -86.83 54.77 3.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 40' ' ' CYS . 51.4 p90 -111.92 -176.04 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.0 mt -98.64 128.04 33.93 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.612 0.72 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 117.63 5.21 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.324 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -122.93 94.24 4.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.0 p -46.28 114.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.6 t -63.65 127.29 30.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.55 43.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.92 -53.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.444 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.0 p -119.32 10.26 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m 60.87 35.26 19.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.49 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -105.37 126.76 8.75 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mt -77.98 100.62 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.898 0.38 . . . . 0.0 111.14 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.503 ' CE1' ' HB2' ' A' ' 18' ' ' GLN . 1.6 m-30 -112.36 177.25 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.582 ' HA ' ' CD2' ' A' ' 27' ' ' PHE . 24.1 p -77.47 -177.87 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 tp -66.48 -46.78 75.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.974 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -64.96 -29.62 70.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -110.81 16.21 21.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 40' ' ' CYS . 4.7 ptm180 -68.34 -34.4 76.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.9 p -71.67 178.27 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.57 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -91.4 -61.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -42.74 -46.89 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -45.02 -40.28 6.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 33.6 p-80 -118.46 33.22 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 35.02 41.24 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 16.7 t -34.48 147.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.7 m -72.64 -17.71 61.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.466 ' HB3' ' CG1' ' A' ' 57' ' ' VAL . 52.3 mt-10 50.07 54.5 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 81.4 t -86.45 -51.25 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -45.46 -37.59 5.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 57' ' ' VAL . 10.3 m -125.6 -174.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 53' ' ' GLU . 14.0 p 35.07 38.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -143.0 140.16 30.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -48.52 104.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -118.96 142.43 31.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 90.92 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -152.75 134.8 14.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 t -46.4 118.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.102 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -108.97 174.8 5.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -55.33 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -55.07 178.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -112.67 152.6 28.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.1 p -64.87 163.16 14.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -110.66 169.79 8.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.4 p -125.88 177.63 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.43 130.17 5.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -173.68 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 t -141.95 174.91 10.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.4 p -125.8 169.93 12.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.495 -179.999 . . . . . . . . 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 . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 1' ' ' GLY . 4.2 m -35.62 150.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -88.12 -56.8 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.85 103.47 0.17 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 m -112.62 110.56 20.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.382 . . . . 0.0 110.829 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -168.82 111.73 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.64 42.16 0.49 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ttt -101.98 156.45 17.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.15 159.32 17.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -120.25 100.02 6.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mp -126.77 82.66 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.91 144.11 40.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.26 108.3 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.75 71.42 0.16 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -80.53 160.49 25.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -136.05 173.96 11.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.0 t -73.62 104.92 4.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.483 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 23.4 mm100 -37.92 -37.36 0.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.3 t -55.86 129.66 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 22' ' ' CYS . 18.4 mt-30 -79.42 -68.5 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -42.01 -24.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 23' ' ' ARG . 1.8 t -67.34 -50.58 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 22' ' ' CYS . 14.0 ptt180 31.34 44.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -69.98 162.37 28.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -136.72 130.26 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.5 t70 69.81 44.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -106.17 174.44 5.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.1 mt -102.75 125.75 34.76 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.68 9.37 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.36 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -133.07 101.63 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 p -53.87 116.7 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.8 t -64.54 140.6 58.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -89.09 38.92 0.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.1 -58.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.436 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.8 p -112.77 21.82 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 m 46.23 42.47 10.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.563 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -110.72 122.5 6.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 mp -74.84 97.37 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.563 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.7 m-30 -108.47 169.06 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' HIS . 27.9 p -73.84 150.86 40.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 tt -43.12 -30.74 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.46 -37.69 68.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 33.7 m170 -107.17 18.96 21.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -68.56 -32.13 71.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.812 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.4 t -71.78 147.07 47.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 44.1 mttt -67.54 -55.21 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -46.7 -49.4 19.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -44.82 -50.84 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 25.3 p-80 -104.68 26.55 8.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.81 48.23 0.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.482 ' C ' ' O ' ' A' ' 50' ' ' GLY . 19.1 t -31.26 138.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 t -61.1 -21.91 64.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . 16.3 mt-10 60.8 51.23 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 99.1 t -86.14 -45.52 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -84.18 32.81 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 53' ' ' GLU . 2.7 m -138.67 -175.13 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 58' ' ' LYS . 48.9 t -44.15 139.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.418 ' N ' HG11 ' A' ' 57' ' ' VAL . 16.6 tptt 61.46 52.79 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.1 mp0 -49.66 158.68 0.43 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -79.64 162.68 62.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.565 0.698 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.98 68.83 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -79.82 113.63 18.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.4 p -117.68 37.09 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -129.35 125.07 35.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -80.37 172.13 14.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -59.0 140.3 55.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -90.98 178.65 5.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 t -67.06 175.04 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -96.27 169.14 10.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.9 p -92.6 169.66 10.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.872 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -133.67 134.57 7.54 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 166.34 27.9 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.708 2.272 . . . . 0.0 112.374 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 61.0 p -172.96 171.07 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.0 m -156.7 171.3 20.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.494 179.98 . . . . . . . . 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 -0.365 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m 56.14 42.15 28.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -124.0 -52.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.79 -147.65 8.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 t -119.0 171.76 8.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.834 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.6 p -82.44 118.5 23.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.73 134.72 12.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.1 mmt -129.87 139.06 51.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -155.88 135.37 12.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.106 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -139.47 138.08 36.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 tp -109.97 93.73 4.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -113.77 130.11 56.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 pt -101.41 120.93 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.94 41.11 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.458 ' NE2' ' HB3' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -60.06 158.93 10.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -165.1 173.61 11.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.813 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.0 t -70.28 104.02 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.435 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 17.0 mm100 -41.93 -35.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.12 143.18 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 22' ' ' CYS . 15.6 mm100 -92.62 -73.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.7 p-80 -34.77 -32.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' GLN . 37.0 t -52.4 136.77 30.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.51 29.85 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -75.21 144.62 42.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.6 mtp85 -124.36 154.78 39.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 t0 38.52 42.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -86.16 172.66 10.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.2 mt -94.87 131.91 29.44 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.651 0.738 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.458 ' HB3' ' NE2' ' A' ' 15' ' ' GLN . 53.6 Cg_endo -69.83 129.6 17.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -139.92 108.82 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 p -67.41 105.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.5 t -54.72 124.48 16.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.419 ' C ' ' HE2' ' A' ' 46' ' ' LYS . 1.4 m-20 -81.02 39.69 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.93 -59.5 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.0 p -110.23 12.21 23.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 t 58.23 38.72 26.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.538 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -113.2 123.83 6.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.5 mp -76.0 98.37 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.538 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.6 m-30 -110.16 163.27 13.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.7 p -64.92 156.55 30.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 tt -48.73 -32.48 8.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -32.93 63.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -109.2 21.5 17.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -76.47 -30.67 57.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.5 p -70.17 153.09 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HE2' ' C ' ' A' ' 33' ' ' ASP . 52.5 mttt -87.91 37.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -130.08 -38.76 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.8 p -64.32 -39.99 95.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' GLY . 30.5 p-80 -105.91 27.12 8.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.58 48.42 0.67 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLY . 6.1 t -34.09 131.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.9 m -64.59 -27.75 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 54.44 47.42 22.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -85.0 -26.31 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -69.59 -47.62 62.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.38 108.08 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 p -86.28 150.17 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.414 ' O ' ' HD3' ' A' ' 58' ' ' LYS . 3.8 tmtt? -84.89 -0.24 53.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -109.0 47.13 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -163.87 129.13 2.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 124.57 11.21 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.654 2.236 . . . . 0.0 112.325 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.6 112.66 0.58 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.9 p -114.77 154.95 27.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.98 96.34 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -133.43 116.02 15.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.444 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 62.5 t60 59.46 43.4 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.82 126.78 52.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.5 t -154.8 140.95 18.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -162.1 113.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -156.3 153.89 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.42 69.3 0.21 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 118.98 6.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 81.9 p -148.43 144.1 27.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 t -149.53 166.83 28.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.495 -179.963 . . . . . . . . 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 1.452 -0.264 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -126.39 -55.14 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 t -101.12 122.76 44.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.86 44.14 1.57 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -45.67 108.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 m -53.93 156.88 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.45 87.21 0.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -83.87 166.52 17.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.311 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.91 133.88 50.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -103.93 125.3 50.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.7 mt -106.95 43.82 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -97.15 40.3 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt 40.43 47.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . 87.43 60.63 1.62 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' GLY . 6.1 tp-100 -35.73 147.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.417 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -108.65 174.54 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 t -68.32 112.43 5.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 20.9 mt-30 -47.84 -35.6 10.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 20' ' ' GLN . 31.4 t -50.25 153.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.412 ' N ' HG13 ' A' ' 19' ' ' VAL . 98.2 mm-40 -96.62 -74.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.4 ' CE1' HG12 ' A' ' 19' ' ' VAL . 4.8 p-80 -37.93 -33.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.1 t -49.83 -75.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 57.15 35.49 26.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -67.16 151.41 47.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -111.26 -50.45 2.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.8 82.7 1.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 15.6 p90 -133.71 175.16 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -108.28 130.06 23.26 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.601 0.715 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 123.82 10.5 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.664 2.242 . . . . 0.0 112.406 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -137.99 117.04 12.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.6 p -67.83 115.75 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.7 t -66.1 122.84 18.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -77.86 45.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -147.89 -53.14 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.7 p -117.05 9.04 13.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.0 t 60.12 39.2 19.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -112.04 123.58 6.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.532 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.08 96.91 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.6 m-30 -108.11 168.26 9.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 43' ' ' HIS . 25.1 p -72.55 149.57 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 tt -40.51 -36.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -69.63 -38.03 77.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 40' ' ' CYS . 45.9 m170 -102.7 19.73 18.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -70.93 -37.7 72.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.7 t -61.79 165.19 5.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -98.34 21.35 11.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -111.35 -39.36 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.9 m -60.47 -47.34 86.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' GLY . 33.1 p-80 -101.19 22.92 11.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 35.97 52.94 1.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 50' ' ' GLY . 4.7 t -34.4 128.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.347 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 m -71.57 -18.19 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 46.37 51.07 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.21 -36.72 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -61.06 -40.73 94.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.62 109.27 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.6 p -126.41 40.04 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -163.88 124.7 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.62 79.26 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -161.51 141.33 7.86 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 107.66 1.9 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -126.09 41.88 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.2 p -151.4 172.66 15.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -117.91 113.04 21.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 -118.91 144.85 46.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -87.63 151.59 22.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -43.91 153.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 70' ' ' SER . 30.1 t -155.15 123.96 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.575 ' CG ' ' O ' ' A' ' 69' ' ' TYR . 21.0 p90 -52.27 90.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' SER . 19.3 m -153.24 149.69 28.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.28 145.31 17.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.529 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 167.15 25.24 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.368 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 m -114.97 -51.77 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.2 m -90.21 -55.2 3.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.522 -179.965 . . . . . . . . 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 1.452 -0.297 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -51.37 -55.78 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.859 0.361 . . . . 0.0 110.895 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -170.77 171.29 6.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.49 -167.44 20.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -155.18 161.35 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.82 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -161.26 147.41 14.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.46 141.82 8.8 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.3 tpt -80.22 157.63 26.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.68 121.51 8.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -145.44 142.12 29.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 11' ' ' LEU . 1.4 pt? -140.52 126.01 18.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.76 85.82 2.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 pt -56.9 -25.41 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 46.66 72.1 0.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.433 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -55.01 170.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 0.0 110.916 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -145.62 174.79 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.5 t -74.24 103.87 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.451 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 34.4 mm-40 -41.24 -37.35 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.424 HG13 ' NE2' ' A' ' 21' ' ' HIS . 11.6 t -54.16 145.01 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' HIS . 10.0 mm100 -94.02 -67.3 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' A' ' 22' ' ' CYS . 12.3 p80 -38.11 -33.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 39.8 t -56.9 133.36 54.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -120.53 72.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -116.8 134.63 54.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -101.99 -50.97 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -123.42 78.53 1.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -110.41 -179.82 3.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.4 mt -99.3 124.95 43.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 126.01 12.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -138.71 110.21 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.3 p -65.4 109.92 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.7 t -58.7 126.53 28.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -80.88 41.74 0.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.1 -57.41 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.449 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.2 p -113.51 12.7 18.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.326 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.0 m 58.1 36.96 26.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.573 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -110.14 122.23 6.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.446 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.67 98.01 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.4 m-30 -109.79 163.98 13.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 43' ' ' HIS . 27.5 p -68.03 152.53 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 tt -43.48 -35.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -69.73 -36.57 75.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 33.3 m170 -106.17 21.08 17.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.2 ptt-85 -74.44 -30.34 61.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 m -68.72 150.91 47.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -86.23 35.26 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.34 -40.14 1.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.2 p -62.44 -40.77 97.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' GLY . 34.2 p-80 -102.32 23.71 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 37.53 51.25 1.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.3 t -40.44 126.18 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -64.81 -19.56 65.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 47.34 52.12 12.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -39.7 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -55.24 -45.54 76.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.41 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 27.3 m -74.15 85.27 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.7 t -66.47 143.7 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -55.5 142.49 32.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -46.1 107.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -99.36 136.25 20.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 91.53 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.24 . . . . 0.0 112.329 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 63' ' ' THR . 3.4 ttmm -120.0 159.67 24.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 62' ' ' LYS . 7.4 t -36.07 142.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -97.1 162.98 13.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -77.74 168.87 19.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -67.75 169.53 9.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -121.3 133.92 55.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.7 p -100.7 169.37 9.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -145.62 167.54 22.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.9 m -163.46 178.84 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -125.28 160.89 19.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.24 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -165.81 175.5 8.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.3 t -170.65 134.24 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.5 180.0 . . . . . . . . 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 -0.281 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m 60.02 42.11 16.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 110.917 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t -112.05 131.56 55.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.85 140.04 2.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 p -163.81 144.74 8.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.381 . . . . 0.0 110.826 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -122.61 139.88 53.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.48 -176.02 14.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 tpt -172.55 124.53 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.312 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.94 134.48 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -112.17 40.66 2.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.34 93.93 5.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -66.23 102.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 pt -113.04 -174.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.82 -127.29 0.88 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.409 ' CG ' HG23 ' A' ' 38' ' ' ILE . 2.1 pm0 -111.53 152.28 27.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.89 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.425 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 1.6 p-80 -146.27 177.96 8.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 t -73.59 103.18 4.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -45.71 -33.26 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.34 150.45 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' CYS . 21.0 tt0 -99.37 -72.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.2 p-80 -37.03 -29.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 20' ' ' GLN . 44.3 t -54.0 128.39 30.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mtp-105 -118.7 39.54 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -85.11 174.57 9.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -167.66 140.04 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 62.38 41.51 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 5.1 p90 -98.28 171.31 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.9 mt -87.65 134.65 35.31 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.564 0.697 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.34 9.02 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -140.55 109.85 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 p -73.23 110.45 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.3 t -45.74 139.22 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -84.29 35.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.74 -59.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 p -108.88 23.79 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.9 p 40.05 49.03 2.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.61 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -114.34 119.04 4.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.409 HG23 ' CG ' ' A' ' 15' ' ' GLN . 6.3 mm -65.96 94.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 111.18 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.61 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 2.5 m-30 -107.06 164.32 12.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 44' ' ' ARG . 25.3 p -71.52 162.17 29.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 tp -45.02 -50.07 10.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -60.33 -40.68 91.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -97.22 16.08 20.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 40' ' ' CYS . 14.0 ptt180 -66.84 -34.05 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -71.13 176.96 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.537 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 52.0 mttt -92.01 -64.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -42.49 -41.74 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -45.09 -47.85 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.537 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 44.1 p-80 -107.3 31.06 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 40.12 39.59 1.57 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.463 ' C ' ' O ' ' A' ' 50' ' ' GLY . 17.0 t -33.47 136.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.8 m -78.48 -28.12 46.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 57.44 50.02 11.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -100.79 -33.24 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 55' ' ' ASN . 1.2 t30 -62.44 -59.23 5.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.6 m -65.04 80.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 p -117.89 148.51 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -47.34 108.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -67.0 167.14 12.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -56.68 111.51 3.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.631 0.729 . . . . 0.0 110.844 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 128.1 15.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.698 2.266 . . . . 0.0 112.372 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 171.79 2.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.0 m -66.57 129.63 40.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.129 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -65.85 162.79 18.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -50.96 -61.23 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -56.9 99.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -120.67 -43.5 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.5 m -141.41 175.74 9.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 58.3 41.18 23.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.2 m -158.25 155.04 28.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 150.99 -64.03 0.39 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 147.43 62.79 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 m -157.16 165.9 34.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.5 p -48.9 138.16 11.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.492 -179.993 . . . . . . . . 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 -0.247 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 m -149.06 173.38 13.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 t -153.83 140.72 19.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.98 -173.19 27.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -120.87 119.25 32.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -145.54 168.27 21.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.33 66.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.4 163.78 25.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.86 148.85 25.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -132.14 83.91 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.3 tp -128.44 89.86 2.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -91.02 116.8 29.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.3 mt -100.33 109.74 25.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.74 53.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.36 163.6 27.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -114.83 164.46 14.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.6 t -61.23 99.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.428 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 5.7 mm100 -37.94 -35.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.5 t -53.47 138.74 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -90.27 -64.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -41.89 -32.27 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.35 137.2 58.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -130.8 41.23 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -87.63 141.51 28.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -130.63 137.12 49.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.6 t70 71.21 44.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 6.9 p90 -102.01 173.89 6.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.2 mt -97.14 138.41 21.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 118.75 5.87 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.639 2.226 . . . . 0.0 112.323 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -132.39 99.5 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 31' ' ' VAL . 3.2 p -58.73 122.11 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.5 t -66.33 142.73 57.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.18 40.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' HA3' ' SG ' ' A' ' 51' ' ' CYS . . . -145.37 -42.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.6 p -129.83 19.62 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.8 m 47.74 45.51 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.556 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -115.71 124.21 6.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.85 102.08 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.556 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.3 m-30 -115.42 163.05 16.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.9 p -57.22 -178.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 tp -65.9 -48.28 71.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.87 -38.04 86.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -100.43 18.69 18.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -72.74 -40.49 66.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 m -93.64 161.57 14.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -69.73 -172.83 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t0 61.67 24.98 14.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 t -134.98 -33.71 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -121.88 15.61 10.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.57 39.03 96.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.407 ' SG ' ' HA3' ' A' ' 34' ' ' GLY . 8.3 t -43.11 126.99 4.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -61.27 -35.4 77.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 64.28 46.9 3.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.456 HG11 ' N ' ' A' ' 55' ' ' ASN . 7.2 p -104.61 -36.56 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.456 ' N ' HG11 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -53.02 -37.69 61.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.427 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 35.3 m -79.3 41.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.469 HG21 ' N ' ' A' ' 58' ' ' LYS . 9.8 p -82.87 144.22 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' N ' HG21 ' A' ' 57' ' ' VAL . 2.6 mmmm -33.66 145.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -125.86 135.86 52.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -72.58 128.56 88.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -179.84 3.2 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -46.61 121.32 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 64' ' ' ASP . 18.6 p -120.41 126.45 50.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 63' ' ' THR . 26.4 p-10 -34.59 129.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -143.02 162.1 36.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -78.9 135.17 36.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -100.34 133.88 44.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.0 m -101.72 149.33 24.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -97.03 176.38 5.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 94.8 p -157.25 167.28 30.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 169.45 132.27 1.42 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -49.2 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.9 m 52.68 43.21 31.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.6 p -103.42 169.56 8.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.43 -179.987 . . . . . . . . 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 ' 16' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.821 0.343 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.6 t -76.65 110.04 10.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -43.77 -38.27 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.521 HG11 ' CE1' ' A' ' 21' ' ' HIS . 21.8 t -50.79 138.51 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 22' ' ' CYS . 8.8 mt-30 -86.25 -75.07 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.521 ' CE1' HG11 ' A' ' 19' ' ' VAL . 5.7 p-80 -35.28 -32.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 20' ' ' GLN . 32.4 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.5 p90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.86 0.362 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 mt -85.1 134.06 41.74 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.654 0.74 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.71 11.35 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.471 ' CG ' ' NH1' ' A' ' 44' ' ' ARG . 39.4 m-85 -141.66 111.71 6.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 p -73.63 123.48 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.8 t -65.48 129.86 41.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -79.47 43.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.63 -69.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.8 p -98.48 12.96 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m 53.12 43.91 31.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.496 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -112.59 126.2 7.43 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 mt -75.55 101.34 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.496 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.7 m-30 -112.2 165.71 11.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 p -66.28 178.85 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 tt -66.44 -36.66 83.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.42 -25.19 61.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -114.97 17.34 16.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.471 ' NH1' ' CG ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -68.24 -37.6 80.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.02 161.73 30.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -72.59 -59.79 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -49.83 -39.25 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.9 m -47.09 -34.81 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 51' ' ' CYS . 39.1 p-80 -125.19 25.32 7.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 40.98 44.04 3.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.522 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 26.8 t -33.1 139.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t -65.94 -27.16 67.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.879 0.371 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -80.17 106.49 12.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 79.0 mm-40 -38.78 -39.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.454 HG11 ' CE1' ' A' ' 21' ' ' HIS . 27.9 t -52.62 136.88 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -88.52 -55.14 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.454 ' CE1' HG11 ' A' ' 19' ' ' VAL . 13.8 p80 -52.0 -17.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.8 p90 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.1 mt -101.04 129.2 27.7 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 118.82 5.91 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -132.99 99.78 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 31' ' ' VAL . 3.3 p -54.93 110.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.1 t -53.86 137.91 37.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -85.8 42.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.05 -57.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.5 p -113.38 18.24 17.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 t 49.69 38.58 15.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.581 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -106.76 120.14 6.15 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 83.6 mt -71.82 99.8 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.581 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.6 m-30 -112.1 162.94 14.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 43' ' ' HIS . 26.0 p -65.51 147.79 52.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tp -36.07 -49.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.78 -41.38 86.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 40' ' ' CYS . 34.2 m170 -96.32 16.73 17.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -66.35 -34.37 77.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 t -64.95 165.49 10.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.599 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 10.8 mttp -89.19 -60.5 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -43.33 -46.53 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.4 m -42.41 -52.7 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.599 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 34.1 p-80 -101.82 36.48 2.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 33.44 43.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLY . 13.6 t -35.6 137.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.8 m -67.74 -34.1 76.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.5 t -70.29 95.64 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.435 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 22.2 mm-40 -39.76 -35.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.622 HG11 ' CE1' ' A' ' 21' ' ' HIS . 24.1 t -51.8 145.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -104.35 -33.96 8.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.622 ' CE1' HG11 ' A' ' 19' ' ' VAL . 4.5 p80 -72.0 -11.13 60.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.431 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 50.7 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.421 ' CD1' ' HA ' ' A' ' 40' ' ' CYS . 48.6 p90 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.901 0.381 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt -99.69 133.82 21.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 117.04 4.85 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -131.82 93.32 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' ' 31' ' ' VAL . 7.3 p -52.9 111.78 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.4 t -54.98 133.65 48.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -83.03 37.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.32 -65.8 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.0 p -106.01 21.02 18.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.362 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.4 p 49.57 33.42 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.558 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -99.22 121.54 7.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.401 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.7 mp -74.6 98.41 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 111.131 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.5 m-30 -111.35 165.54 11.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.421 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 31.2 p -65.55 -176.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 tp -68.68 -44.63 73.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -66.26 -23.87 66.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 32.8 m170 -116.39 17.46 15.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -69.88 -29.74 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -76.5 174.59 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 18.7 mttp -87.57 -61.03 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -44.28 -42.06 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.1 p -46.59 -42.89 16.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 46.8 p-80 -115.27 27.13 9.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 39.32 42.75 1.86 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.531 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 50' ' ' GLY . 8.7 t -33.93 143.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.371 . . . . 0.0 110.839 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 m -81.77 -25.49 35.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m170 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 t -79.73 110.65 15.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -47.73 -37.18 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.489 HG11 ' CE1' ' A' ' 21' ' ' HIS . 25.2 t -55.82 134.57 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' CYS . 11.3 mm-40 -86.07 -68.53 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.489 ' CE1' HG11 ' A' ' 19' ' ' VAL . 28.1 p80 -38.06 -29.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' GLN . 9.3 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.5 p90 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.904 0.383 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mp -102.11 140.8 21.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.576 0.703 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 122.55 9.22 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -134.88 95.07 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 31' ' ' VAL . 8.2 p -54.65 111.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.7 t -59.93 127.78 33.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -82.99 36.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.19 -48.86 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.532 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.8 p -124.67 15.25 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t 54.31 48.66 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.568 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -123.43 121.05 4.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.524 HD12 ' H ' ' A' ' 38' ' ' ILE . 5.3 mp -70.61 95.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 2.3 m-30 -107.48 163.99 12.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.5 p -72.85 154.76 40.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 tt -45.19 -32.02 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.05 -38.25 66.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 32.7 m170 -104.83 21.42 16.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 -75.07 -36.45 61.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -61.22 158.05 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -92.59 39.68 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.26 -40.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.9 p -60.28 -29.32 68.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.486 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 27.3 p-80 -120.46 30.8 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 33.16 52.37 0.53 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.447 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.5 t -45.43 133.77 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -68.86 -28.08 66.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 p80 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.486 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 17.4 t -71.2 108.22 4.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.517 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 23.4 mm-40 -41.89 -33.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.518 HG11 ' CE1' ' A' ' 21' ' ' HIS . 18.2 t -60.48 128.14 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 22' ' ' CYS . 4.1 tp60 -78.03 -74.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.518 ' CE1' HG11 ' A' ' 19' ' ' VAL . 4.6 p-80 -33.06 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' GLN . 21.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 17' ' ' CYS . 5.1 p90 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -99.86 140.86 21.86 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.635 0.731 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 117.83 5.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -131.84 95.47 3.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.548 ' O ' HG13 ' A' ' 31' ' ' VAL . 8.3 p -55.38 114.58 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.5 t -58.54 133.85 56.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -82.35 36.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.48 -69.0 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.516 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.6 p -98.6 9.45 43.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 m 59.77 31.06 20.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.571 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -99.76 124.95 8.4 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.6 mt -76.75 97.71 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.893 0.378 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.571 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.5 m-30 -109.81 169.31 8.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 27' ' ' PHE . 18.5 p -66.58 -178.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.36 -46.49 79.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.47 -33.66 76.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -105.21 15.92 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 -67.36 -40.53 85.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -70.93 158.1 37.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.608 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 3.3 mtmp? -74.62 -59.45 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -47.43 -38.85 14.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.1 m -51.45 -49.16 62.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.608 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 34.4 p-80 -104.06 27.4 7.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 38.5 43.57 1.57 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.463 ' CB ' ' HG2' ' A' ' 46' ' ' LYS . 11.1 t -33.45 145.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -69.38 -20.35 63.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.892 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.8 p80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -79.77 103.73 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 18.2 mm-40 -39.07 -38.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 20' ' ' GLN . 40.4 t -50.63 153.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 22' ' ' CYS . 89.8 mm-40 -100.39 -74.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.6 p-80 -35.2 -31.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 20' ' ' GLN . 54.1 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.6 p90 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.864 0.364 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.1 mt -107.33 132.43 20.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.576 0.703 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 122.54 9.21 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -134.25 104.06 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.585 ' O ' HG13 ' A' ' 31' ' ' VAL . 8.0 p -57.98 110.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.7 t -57.81 129.14 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -80.23 41.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.72 -61.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -110.25 14.44 22.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 t 56.4 39.0 30.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.572 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -108.77 120.63 5.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.502 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.93 102.88 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.824 0.345 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.2 m-30 -114.71 164.04 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.4 p -63.11 178.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.85 -48.85 77.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -61.15 -34.0 74.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.405 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 45.4 m170 -105.08 17.4 24.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -68.62 -37.03 79.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.0 t -72.34 163.45 27.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.583 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 14.8 mttp -80.16 -60.09 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -41.71 -39.86 1.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.5 t -52.66 -45.82 66.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 31.9 p-80 -109.91 32.81 4.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.4 42.86 0.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.518 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 19.8 t -33.86 141.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.1 m -73.02 -20.99 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 p80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.886 0.374 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 7.5 t -67.66 104.72 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.48 ' O ' ' NE2' ' A' ' 20' ' ' GLN . 10.7 mm100 -44.98 -34.28 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.469 HG12 ' H ' ' A' ' 22' ' ' CYS . 60.3 t -50.95 144.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 18' ' ' GLN . 7.4 mp0 -93.7 -72.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.401 ' CE1' HG11 ' A' ' 19' ' ' VAL . 4.7 p-80 -38.29 -29.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.469 ' H ' HG12 ' A' ' 19' ' ' VAL . 53.7 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 17' ' ' CYS . 17.5 p90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.897 0.379 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 mt -92.43 125.56 55.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 117.91 5.36 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -129.41 106.18 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 31' ' ' VAL . 2.2 p -62.96 108.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.8 t -56.55 126.34 26.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.437 ' C ' ' HE2' ' A' ' 46' ' ' LYS . 83.2 m-20 -81.43 40.22 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -141.17 -59.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -111.1 16.67 20.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 m 53.59 40.89 32.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.557 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -114.79 122.04 5.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.498 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.9 mt -76.25 100.25 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.557 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.3 m-30 -111.78 166.29 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.7 p -65.09 174.4 2.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 41' ' ' LEU . 7.2 tt -62.28 -39.11 91.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -69.59 -32.53 71.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -107.99 21.29 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -78.13 -34.17 50.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.0 t -73.32 151.87 41.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' HE2' ' C ' ' A' ' 33' ' ' ASP . 34.7 mttt -83.19 40.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -131.27 -38.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.9 m -67.43 -41.31 84.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.486 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 22.9 p-80 -103.4 28.16 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 32.78 47.57 0.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.46 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 50' ' ' GLY . 12.0 t -33.59 139.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.4 m -75.81 -16.61 60.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 9.5 t -78.93 107.72 11.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.438 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 21.9 mm100 -42.85 -37.72 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.7 t -53.49 146.89 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' CYS . 95.4 mt-30 -96.47 -72.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.9 p-80 -37.14 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 20' ' ' GLN . 18.9 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 17' ' ' CYS . 14.1 p90 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.861 0.362 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 mt -94.6 126.87 45.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 125.78 12.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.731 2.287 . . . . 0.0 112.371 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -132.55 103.27 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 31' ' ' VAL . 7.6 p -55.76 110.48 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.2 t -57.65 134.91 56.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -86.9 37.93 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.9 -50.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.7 p -124.8 18.38 8.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 t 53.14 37.69 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -105.67 121.28 6.73 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.552 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.8 mp -74.19 101.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.579 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.2 m-30 -113.98 171.21 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 20.7 p -69.93 -179.03 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 tp -65.18 -47.26 77.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -62.91 -35.24 79.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.412 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 31.6 m170 -102.53 13.9 33.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -66.03 -37.85 86.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.2 m -66.15 179.65 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.837 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 63.9 mttt -94.6 -67.15 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -41.28 -41.36 1.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.8 m -47.21 -43.8 21.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.514 ' CE1' ' HB2' ' A' ' 51' ' ' CYS . 32.0 p-80 -114.08 34.81 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.11 42.79 0.28 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.514 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 17.9 t -35.04 146.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.35 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 m -81.46 -15.88 53.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 p80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.819 0.343 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 t -67.71 105.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.82 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.403 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 60.6 mm-40 -39.43 -36.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.665 ' CG1' ' CE1' ' A' ' 21' ' ' HIS . 21.2 t -54.54 138.88 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 22' ' ' CYS . 68.0 mm-40 -86.42 -73.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.665 ' CE1' ' CG1' ' A' ' 19' ' ' VAL . 13.8 p-80 -35.35 -30.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 20' ' ' GLN . 52.3 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 40' ' ' CYS . 29.2 p90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -112.57 141.54 25.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 118.88 5.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -132.31 97.56 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 31' ' ' VAL . 9.8 p -55.09 108.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.7 t -52.64 140.98 21.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -91.25 40.9 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.22 -54.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.8 p -117.51 21.77 12.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.9 t 48.32 35.78 6.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.522 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -105.11 120.38 6.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.9 mt -74.64 99.26 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.359 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.522 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.7 m-30 -110.35 164.34 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.482 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 17.3 p -61.71 175.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 41' ' ' LEU . 10.0 tt -68.17 -21.55 64.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -81.39 -33.56 32.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 44' ' ' ARG . 23.0 m-70 -99.32 -16.03 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' CYS . 16.9 ptt85 -36.52 -39.97 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.06 145.0 54.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 32.3 mttp -66.88 -53.11 35.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -46.91 -51.03 17.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -43.67 -61.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 31.1 p-80 -92.52 31.33 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 30.25 48.12 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 50' ' ' GLY . 9.5 t -35.33 141.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.327 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.5 p -70.8 -28.49 64.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.9 p80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.857 0.36 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.532 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 15.0 t -75.39 98.84 3.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 24.4 mm-40 -34.93 -34.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 17' ' ' CYS . 42.6 t -55.36 151.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' CYS . 59.0 mt-30 -98.52 -69.35 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -37.29 -28.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' GLN . 15.1 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 17' ' ' CYS . 5.9 p90 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.868 0.365 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.95 128.47 49.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 114.69 3.79 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.246 . . . . 0.0 112.378 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -126.82 92.47 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 31' ' ' VAL . 2.7 p -51.56 112.05 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.2 t -57.04 130.2 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.95 41.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.68 -58.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.54 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.3 p -114.34 19.55 16.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.792 0.33 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 95.9 p 51.43 34.73 12.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.577 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -103.93 121.33 7.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.4 mt -74.46 99.14 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.121 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.577 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.4 m-30 -112.58 163.23 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' HIS . 25.6 p -64.86 151.06 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 41' ' ' LEU . 6.9 tt -43.93 -31.79 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -73.02 -35.0 66.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' CYS . 42.4 m170 -107.39 21.14 17.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -74.75 -33.4 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 m -67.57 146.85 53.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 40.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -131.97 -44.29 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -61.29 -38.82 88.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 51' ' ' CYS . 18.4 p-80 -104.95 28.88 6.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 33.63 53.09 0.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 17.3 t -45.77 135.12 7.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.361 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.4 p -68.73 -28.84 67.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.79 0.329 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -68.92 111.62 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.519 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 9.5 mm100 -41.36 -36.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 20' ' ' GLN . 48.8 t -53.84 154.04 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.428 ' N ' HG12 ' A' ' 19' ' ' VAL . 65.1 tp60 -100.37 -70.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -41.13 -28.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 18.0 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 p90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.901 0.381 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -88.39 128.29 53.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 120.81 7.53 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -131.95 101.54 5.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 31' ' ' VAL . 10.4 p -60.36 114.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.7 t -60.18 131.94 52.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -82.6 41.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.07 -65.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.1 p -104.15 17.84 23.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 m 50.61 41.62 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -112.52 124.14 6.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.1 mt -77.44 99.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.361 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.3 m-30 -110.94 165.49 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 p -64.36 153.3 38.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 tt -43.38 -40.06 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.14 -37.89 84.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 43.5 m170 -101.96 18.39 20.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -71.92 -34.66 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.8 t -75.41 141.94 43.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 25.3 mttt -57.67 -61.82 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -40.88 -50.02 3.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.2 m -43.86 -50.74 7.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 29.0 p-80 -105.81 31.22 5.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.813 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 33.52 43.29 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.455 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 50' ' ' GLY . 19.5 t -31.1 135.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 t -58.47 -31.25 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.937 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 6.9 t -76.59 100.31 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.481 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 23.3 mm-40 -33.89 -36.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' CYS . 21.4 t -56.82 151.29 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' CYS . 10.4 tp-100 -98.39 -72.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' GLN . 17.4 p80 -35.63 -31.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.0 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.493 ' CE2' ' HB3' ' A' ' 40' ' ' CYS . 3.7 p90 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.856 0.36 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -88.09 130.17 47.25 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.602 0.715 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 123.59 10.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -132.28 91.92 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.577 ' O ' HG13 ' A' ' 31' ' ' VAL . 13.7 p -53.01 114.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.2 t -58.3 141.74 50.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.44 44.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.83 -63.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.53 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.0 p -104.4 17.41 24.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 t 49.3 37.97 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.543 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -107.45 122.42 6.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.5 mt -74.71 97.52 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.543 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.9 m-30 -108.41 166.51 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.493 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 30.0 p -68.7 161.88 27.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tt -52.04 -29.52 21.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -73.59 -36.08 65.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -107.93 19.01 20.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -69.24 -34.72 75.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.0 134.3 36.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.584 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 22.4 mttp -50.47 -54.57 21.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -42.96 -51.9 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 m -44.43 -57.59 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.584 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 27.0 p-80 -97.82 29.09 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 33.63 49.01 0.52 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 50' ' ' GLY . 7.7 t -32.93 135.96 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.7 p -64.68 -30.04 71.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.882 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.839 0.352 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.4 t -60.39 108.67 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.406 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 45.3 mm-40 -40.6 -37.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.5 t -46.23 149.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -102.88 -46.35 4.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.505 ' C ' ' ND1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -75.6 7.81 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 4.4 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.415 ' CG ' ' HB3' ' A' ' 40' ' ' CYS . 15.5 p90 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.933 0.397 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mt -89.38 119.39 69.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.629 0.728 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 127.26 14.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.397 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -143.31 116.08 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 31' ' ' VAL . 1.6 p -69.09 108.09 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.9 t -55.78 123.62 14.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -79.25 43.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.57 -59.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.549 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.7 p -110.03 14.31 23.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t 54.91 38.2 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.525 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -110.66 121.75 5.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.0 mp -75.01 97.98 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.525 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.9 m-30 -108.97 164.83 12.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.415 ' HB3' ' CG ' ' A' ' 27' ' ' PHE . 20.3 p -64.15 -178.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.83 -47.34 78.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -64.3 -32.86 74.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 50.9 m170 -105.54 17.8 23.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -71.85 -38.76 70.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.3 p -68.67 170.63 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.405 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 29.4 mttp -103.05 40.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.17 -40.84 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.4 m -64.53 -40.51 95.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.438 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 24.1 p-80 -100.12 26.39 6.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 34.53 52.33 0.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 t -41.69 133.8 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.8 m -74.83 -27.83 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.7 t -80.12 105.39 11.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.504 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 40.9 mt-30 -39.7 -37.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.529 HG11 ' CE1' ' A' ' 21' ' ' HIS . 40.2 t -53.07 150.72 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 22' ' ' CYS . 29.4 tt0 -96.68 -69.99 0.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.529 ' CE1' HG11 ' A' ' 19' ' ' VAL . 17.4 p80 -36.47 -29.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 20' ' ' GLN . 10.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.587 ' CD2' ' HA ' ' A' ' 40' ' ' CYS . 51.4 p90 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.0 mt -98.64 128.04 33.93 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.612 0.72 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 117.63 5.21 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.324 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -122.93 94.24 4.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 31' ' ' VAL . 5.0 p -46.28 114.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.6 t -63.65 127.29 30.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.55 43.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.92 -53.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.444 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.0 p -119.32 10.26 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m 60.87 35.26 19.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.491 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -105.37 126.76 8.75 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mt -77.98 100.62 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.898 0.38 . . . . 0.0 111.14 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.504 ' CE1' ' HB2' ' A' ' 18' ' ' GLN . 1.6 m-30 -112.36 177.25 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.587 ' HA ' ' CD2' ' A' ' 27' ' ' PHE . 24.1 p -77.47 -177.87 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 tp -66.48 -46.78 75.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.974 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -64.96 -29.62 70.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -110.81 16.21 21.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 40' ' ' CYS . 4.7 ptm180 -68.34 -34.4 76.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.9 p -71.67 178.27 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -91.4 -61.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -42.74 -46.89 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -45.02 -40.28 6.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 33.6 p-80 -118.46 33.22 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 35.02 41.24 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 16.7 t -34.48 147.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.7 m -72.64 -17.71 61.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.0 t -73.62 104.92 4.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.483 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 23.4 mm100 -37.92 -37.36 0.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.429 HG11 ' CE1' ' A' ' 21' ' ' HIS . 42.3 t -55.86 129.66 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 22' ' ' CYS . 18.4 mt-30 -79.42 -68.5 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.429 ' CE1' HG11 ' A' ' 19' ' ' VAL . 29.2 p80 -42.01 -24.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.429 ' H ' HG12 ' A' ' 19' ' ' VAL . 1.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.0 p90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.1 mt -102.75 125.75 34.76 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.68 9.37 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.36 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -133.07 101.63 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 p -53.87 116.7 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.8 t -64.54 140.6 58.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -89.09 38.92 0.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.1 -58.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.436 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.8 p -112.77 21.82 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 m 46.23 42.47 10.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -110.72 122.5 6.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.514 HD12 ' H ' ' A' ' 38' ' ' ILE . 5.1 mp -74.84 97.37 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.7 m-30 -108.47 169.06 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' HIS . 27.9 p -73.84 150.86 40.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 41' ' ' LEU . 10.4 tt -43.12 -30.74 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.46 -37.69 68.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 40' ' ' CYS . 23.7 m-70 -107.17 18.96 21.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -68.56 -32.13 71.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.812 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.4 t -71.78 147.07 47.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.58 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 44.1 mttt -67.54 -55.21 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -46.7 -49.4 19.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -44.82 -50.84 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.58 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 25.3 p-80 -104.68 26.55 8.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.81 48.23 0.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.482 ' C ' ' O ' ' A' ' 50' ' ' GLY . 19.1 t -31.26 138.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 t -61.1 -21.91 64.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 p80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.825 0.345 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.0 t -70.28 104.02 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.437 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 17.0 mm100 -41.93 -35.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.428 HG11 ' CE1' ' A' ' 21' ' ' HIS . 49.1 t -55.12 143.18 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 22' ' ' CYS . 15.6 mm100 -92.62 -73.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.7 p-80 -34.77 -32.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' GLN . 37.0 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.1 p90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.2 mt -94.87 131.91 29.44 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.651 0.738 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 129.6 17.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -139.92 108.82 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 31' ' ' VAL . 2.2 p -67.41 105.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.5 t -54.72 124.48 16.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.434 ' C ' ' HE2' ' A' ' 46' ' ' LYS . 1.4 m-20 -81.02 39.69 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.93 -59.5 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.0 p -110.23 12.21 23.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 t 58.23 38.72 26.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.539 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -113.2 123.83 6.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.5 mp -76.0 98.37 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.539 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.6 m-30 -110.16 163.27 13.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.7 p -64.92 156.55 30.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.454 HD23 ' C ' ' A' ' 41' ' ' LEU . 9.0 tt -48.73 -32.48 8.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -32.93 63.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -109.2 21.5 17.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -76.47 -30.67 57.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.5 p -70.17 153.09 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HE2' ' C ' ' A' ' 33' ' ' ASP . 52.5 mttt -87.91 37.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -130.08 -38.76 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.8 p -64.32 -39.99 95.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' GLY . 30.5 p-80 -105.91 27.12 8.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.58 48.42 0.67 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLY . 6.1 t -34.09 131.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.9 m -64.59 -27.75 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 t -68.32 112.43 5.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.412 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 20.9 mt-30 -47.84 -35.6 10.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 t -50.25 153.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -96.62 -74.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -37.93 -33.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.901 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.431 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 15.6 p90 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -108.28 130.06 23.26 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.601 0.715 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 123.82 10.5 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.664 2.242 . . . . 0.0 112.406 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -137.99 117.04 12.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 31' ' ' VAL . 1.6 p -67.83 115.75 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.7 t -66.1 122.84 18.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -77.86 45.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -147.89 -53.14 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.7 p -117.05 9.04 13.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.0 t 60.12 39.2 19.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -112.04 123.58 6.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.532 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.08 96.91 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.6 m-30 -108.11 168.26 9.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 43' ' ' HIS . 25.1 p -72.55 149.57 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.402 ' C ' HD23 ' A' ' 41' ' ' LEU . 8.2 tt -40.51 -36.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -69.63 -38.03 77.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 40' ' ' CYS . 7.6 m-70 -102.7 19.73 18.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -70.93 -37.7 72.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.7 t -61.79 165.19 5.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -98.34 21.35 11.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -111.35 -39.36 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.9 m -60.47 -47.34 86.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' GLY . 33.1 p-80 -101.19 22.92 11.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 35.97 52.94 1.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 50' ' ' GLY . 4.7 t -34.4 128.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.347 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 m -71.57 -18.19 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.927 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.815 0.34 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.5 t -74.24 103.87 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.448 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 34.4 mm-40 -41.24 -37.35 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.555 HG11 ' CE1' ' A' ' 21' ' ' HIS . 11.6 t -54.16 145.01 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' HIS . 10.0 mm100 -94.02 -67.3 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.555 ' CE1' HG11 ' A' ' 19' ' ' VAL . 12.3 p80 -38.11 -33.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.441 ' N ' ' ND1' ' A' ' 21' ' ' HIS . 39.8 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.1 p90 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.4 mt -99.3 124.95 43.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 126.01 12.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -138.71 110.21 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.409 HG12 ' H ' ' A' ' 31' ' ' VAL . 2.3 p -65.4 109.92 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.7 t -58.7 126.53 28.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -80.88 41.74 0.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.1 -57.41 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.449 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.2 p -113.51 12.7 18.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.326 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.0 m 58.1 36.96 26.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -110.14 122.23 6.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.446 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.67 98.01 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.4 m-30 -109.79 163.98 13.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 43' ' ' HIS . 27.5 p -68.03 152.53 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.465 HD23 ' C ' ' A' ' 41' ' ' LEU . 9.5 tt -43.48 -35.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -69.73 -36.57 75.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.432 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 33.3 m170 -106.17 21.08 17.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.2 ptt-85 -74.44 -30.34 61.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 m -68.72 150.91 47.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 40.1 mttt -86.23 35.26 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.34 -40.14 1.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.2 p -62.44 -40.77 97.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' GLY . 34.2 p-80 -102.32 23.71 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 37.53 51.25 1.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.3 t -40.44 126.18 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -64.81 -19.56 65.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 t -73.59 103.18 4.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -45.71 -33.26 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.34 150.45 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' CYS . 21.0 tt0 -99.37 -72.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.2 p-80 -37.03 -29.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 20' ' ' GLN . 44.3 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 5.1 p90 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 70.9 mt -87.65 134.65 35.31 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.564 0.697 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.34 9.02 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 32.0 m-85 -140.55 109.85 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.479 ' N ' HD13 ' A' ' 38' ' ' ILE . 2.1 p -73.23 110.45 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.3 t -45.74 139.22 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -84.29 35.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.74 -59.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 p -108.88 23.79 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.9 p 40.05 49.03 2.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.611 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -114.34 119.04 4.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.479 HD13 ' N ' ' A' ' 31' ' ' VAL . 6.3 mm -65.96 94.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 111.18 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.611 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 2.5 m-30 -107.06 164.32 12.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 44' ' ' ARG . 25.3 p -71.52 162.17 29.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 tp -45.02 -50.07 10.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -60.33 -40.68 91.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -97.22 16.08 20.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 40' ' ' CYS . 14.0 ptt180 -66.84 -34.05 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -71.13 176.96 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.549 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 52.0 mttt -92.01 -64.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -42.49 -41.74 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -45.09 -47.85 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.549 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 44.1 p-80 -107.3 31.06 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 40.12 39.59 1.57 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.463 ' C ' ' O ' ' A' ' 50' ' ' GLY . 17.0 t -33.47 136.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.8 m -78.48 -28.12 46.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.0 p80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.6 t -61.23 99.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 5.7 mm100 -37.94 -35.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 22' ' ' CYS . 36.5 t -53.47 138.74 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -90.27 -64.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -41.89 -32.27 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.418 ' H ' HG12 ' A' ' 19' ' ' VAL . 43.0 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 6.9 p90 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.2 mt -97.14 138.41 21.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 118.75 5.87 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.639 2.226 . . . . 0.0 112.323 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -132.39 99.5 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 p -58.73 122.11 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.5 t -66.33 142.73 57.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.18 40.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.408 ' HA3' ' SG ' ' A' ' 51' ' ' CYS . . . -145.37 -42.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.6 p -129.83 19.62 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.8 m 47.74 45.51 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.559 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -115.71 124.21 6.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.85 102.08 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.3 m-30 -115.42 163.05 16.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.9 p -57.22 -178.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 tp -65.9 -48.28 71.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.87 -38.04 86.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -100.43 18.69 18.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -72.74 -40.49 66.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 m -93.64 161.57 14.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -69.73 -172.83 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t0 61.67 24.98 14.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 t -134.98 -33.71 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -121.88 15.61 10.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.57 39.03 96.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.408 ' SG ' ' HA3' ' A' ' 34' ' ' GLY . 8.3 t -43.11 126.99 4.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -61.27 -35.4 77.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 p -117.14 105.72 12.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -99.18 -44.2 6.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.37 151.89 28.46 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.457 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -157.66 165.67 34.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 m -160.77 176.62 11.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.14 -154.28 7.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 40.4 mmm -141.25 161.63 37.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.51 86.6 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -122.79 98.52 5.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -158.18 130.48 7.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -76.13 122.6 24.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 mt -65.52 -38.01 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.03 116.9 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.655 ' HG3' HD13 ' A' ' 38' ' ' ILE . 37.9 mm-40 -119.63 155.14 32.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -134.34 165.36 25.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.6 t -76.65 110.04 10.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -43.77 -38.27 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.521 HG11 ' CE1' ' A' ' 21' ' ' HIS . 21.8 t -50.79 138.51 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 22' ' ' CYS . 8.8 mt-30 -86.25 -75.07 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.521 ' CE1' HG11 ' A' ' 19' ' ' VAL . 5.7 p-80 -35.28 -32.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 20' ' ' GLN . 32.4 t -50.25 -71.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 58.9 42.04 20.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.424 ' CG ' ' SG ' ' A' ' 22' ' ' CYS . 9.6 mm100 -82.23 178.1 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -167.68 136.49 2.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.0 t0 71.49 41.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -109.95 170.57 7.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 mt -85.1 134.06 41.74 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.654 0.74 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.71 11.35 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.471 ' CG ' ' NH1' ' A' ' 44' ' ' ARG . 39.4 m-85 -141.66 111.71 6.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 p -73.63 123.48 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.8 t -65.48 129.86 41.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -79.47 43.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.63 -69.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.8 p -98.48 12.96 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m 53.12 43.91 31.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.496 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -112.59 126.2 7.43 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.655 HD13 ' HG3' ' A' ' 15' ' ' GLN . 20.9 mt -75.55 101.34 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.115 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.496 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.7 m-30 -112.2 165.71 11.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 p -66.28 178.85 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 tt -66.44 -36.66 83.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.42 -25.19 61.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -114.97 17.34 16.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.471 ' NH1' ' CG ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -68.24 -37.6 80.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.02 161.73 30.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -72.59 -59.79 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -49.83 -39.25 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.9 m -47.09 -34.81 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 51' ' ' CYS . 39.1 p-80 -125.19 25.32 7.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 40.98 44.04 3.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.522 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 26.8 t -33.1 139.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t -65.94 -27.16 67.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 51.38 48.35 23.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 p -100.12 -19.67 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -66.06 -42.63 89.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.7 m -94.01 96.05 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -46.73 139.05 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 59' ' ' GLU . 33.0 mttt -45.07 161.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -37.17 107.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -129.36 150.94 76.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.604 0.716 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 124.68 11.3 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.0 -179.66 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -84.87 162.42 19.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.75 106.2 1.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.799 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -112.24 172.95 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -121.07 157.26 30.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -148.4 175.34 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.9 p -150.59 128.99 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -162.49 155.82 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -163.48 161.11 23.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.5 158.13 28.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -49.49 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 t -174.99 178.13 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.0 m -132.36 161.91 32.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.17 -0.794 . . . . 0.0 112.456 -179.979 . . . . . . . . 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 -0.276 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 m -140.93 158.77 43.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -117.87 118.29 31.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.31 -131.33 3.87 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -125.73 103.63 7.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.897 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -160.0 146.24 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.2 117.21 4.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -89.9 88.18 7.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.78 154.53 20.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.79 137.22 43.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.1 mt -124.93 -43.67 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 44.44 42.76 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.9 pt -92.46 -30.42 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 139.94 92.58 0.23 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -117.21 176.88 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -156.75 -179.93 8.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -80.17 106.49 12.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 79.0 mm-40 -38.78 -39.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.454 HG11 ' CE1' ' A' ' 21' ' ' HIS . 27.9 t -52.62 136.88 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -88.52 -55.14 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.454 ' CE1' HG11 ' A' ' 19' ' ' VAL . 13.8 p80 -52.0 -17.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.0 t -75.7 126.22 30.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -111.05 41.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -100.17 113.37 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -95.19 -43.37 8.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -103.62 81.74 1.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -131.97 177.85 7.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.1 mt -101.04 129.2 27.7 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 118.82 5.91 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -132.99 99.78 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 31' ' ' VAL . 3.3 p -54.93 110.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.1 t -53.86 137.91 37.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -85.8 42.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.49 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -149.05 -57.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.5 p -113.38 18.24 17.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 t 49.69 38.58 15.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.581 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -106.76 120.14 6.15 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 83.6 mt -71.82 99.8 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.581 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.6 m-30 -112.1 162.94 14.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 43' ' ' HIS . 26.0 p -65.51 147.79 52.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tp -36.07 -49.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.78 -41.38 86.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 40' ' ' CYS . 34.2 m170 -96.32 16.73 17.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -66.35 -34.37 77.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 t -64.95 165.49 10.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.599 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 10.8 mttp -89.19 -60.5 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -43.33 -46.53 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.4 m -42.41 -52.7 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.599 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 34.1 p-80 -101.82 36.48 2.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 33.44 43.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLY . 13.6 t -35.6 137.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.8 m -67.74 -34.1 76.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 58.17 46.74 15.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -89.03 -32.9 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 34' ' ' GLY . 19.4 m-20 -66.63 -60.31 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.617 ' O ' HG23 ' A' ' 56' ' ' VAL . 25.2 m -69.21 93.6 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.9 t -74.1 133.63 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -38.21 109.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -62.97 113.73 3.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -54.34 161.87 1.84 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.713 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 88.74 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.99 43.64 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 t -88.21 133.43 34.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -127.49 82.28 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -160.65 151.73 18.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -85.73 42.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -141.49 124.52 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 86.8 p -167.18 165.44 15.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -94.1 -47.41 6.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.4 t -63.43 150.81 42.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.62 -146.76 17.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -27.11 26.84 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.322 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.3 t 69.31 42.0 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.9 t 60.84 42.87 12.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.495 -179.955 . . . . . . . . 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 1.452 -0.289 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -164.11 171.58 14.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -124.04 171.56 9.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.25 -161.67 8.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -106.84 152.47 23.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.369 . . . . 0.0 110.906 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 p -144.26 136.51 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.43 131.28 5.13 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -38.08 -43.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 55.35 34.58 23.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -147.72 146.77 29.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.9 mt -137.2 114.04 10.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -72.22 111.4 7.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 mm -103.95 117.28 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.66 -125.66 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.621 ' CD ' HG21 ' A' ' 38' ' ' ILE . 9.0 tt0 -142.77 138.53 30.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.73 -175.16 2.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.5 t -70.29 95.64 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.435 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 22.2 mm-40 -39.76 -35.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.622 HG11 ' CE1' ' A' ' 21' ' ' HIS . 24.1 t -51.8 145.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -104.35 -33.96 8.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.622 ' CE1' HG11 ' A' ' 19' ' ' VAL . 4.5 p80 -72.0 -11.13 60.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.431 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 50.7 t -81.6 132.09 35.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -110.52 43.57 1.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -90.83 134.0 34.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -104.0 -63.74 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -106.19 86.59 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.421 ' CD1' ' HA ' ' A' ' 40' ' ' CYS . 48.6 p90 -119.51 177.35 4.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt -99.69 133.82 21.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 117.04 4.85 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -131.82 93.32 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' ' 31' ' ' VAL . 7.3 p -52.9 111.78 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.4 t -54.98 133.65 48.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -83.03 37.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.32 -65.8 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.0 p -106.01 21.02 18.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.362 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.4 p 49.57 33.42 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.558 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -99.22 121.54 7.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.621 HG21 ' CD ' ' A' ' 15' ' ' GLN . 4.7 mp -74.6 98.41 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 111.131 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.5 m-30 -111.35 165.54 11.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.421 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 31.2 p -65.55 -176.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 tp -68.68 -44.63 73.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -66.26 -23.87 66.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 32.8 m170 -116.39 17.46 15.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -69.88 -29.74 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -76.5 174.59 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 18.7 mttp -87.57 -61.03 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -44.28 -42.06 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.1 p -46.59 -42.89 16.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 46.8 p-80 -115.27 27.13 9.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 39.32 42.75 1.86 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.531 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 50' ' ' GLY . 8.7 t -33.93 143.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.371 . . . . 0.0 110.839 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 m -81.77 -25.49 35.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 51.88 51.28 16.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 p -98.37 -23.13 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -64.69 -46.28 83.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -105.9 103.65 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.4 t -88.88 144.77 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -40.13 154.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -39.8 152.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 6.5 mpt_? 60.64 52.91 3.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 60' ' ' ARG . 54.0 Cg_endo -69.75 -2.62 10.49 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.343 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -75.87 136.13 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 64' ' ' ASP . 59.7 m -85.24 113.31 21.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -34.16 143.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 51.53 50.0 19.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -80.83 121.78 26.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -111.51 106.87 15.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 t -135.26 142.64 45.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -86.01 157.4 20.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.6 t -154.29 155.07 34.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.54 151.5 6.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -48.48 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.7 t 52.47 43.81 30.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.6 m -123.8 157.8 33.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.545 -179.958 . . . . . . . . 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 1.452 -0.282 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 t -171.15 153.9 3.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -145.35 166.54 25.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.6 111.19 0.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -61.68 167.94 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.819 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -140.43 163.86 31.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.45 156.67 16.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 mmt -135.38 118.06 16.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 110.821 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.03 132.11 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -147.27 124.05 11.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 mt -151.25 131.69 13.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -108.87 166.84 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 pt -108.4 121.11 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.87 80.62 0.34 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.879 ' HG2' HD13 ' A' ' 38' ' ' ILE . 2.2 tp60 -54.1 159.39 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -104.99 177.14 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 t -79.73 110.65 15.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -47.73 -37.18 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.489 HG11 ' CE1' ' A' ' 21' ' ' HIS . 25.2 t -55.82 134.57 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' CYS . 11.3 mm-40 -86.07 -68.53 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.489 ' CE1' HG11 ' A' ' 19' ' ' VAL . 28.1 p80 -38.06 -29.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' GLN . 9.3 t -55.86 125.15 20.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -116.74 39.7 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -83.84 150.4 25.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.7 134.88 30.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 71.66 43.97 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -101.83 170.68 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mp -102.11 140.8 21.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.576 0.703 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 122.55 9.22 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -134.88 95.07 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 31' ' ' VAL . 8.2 p -54.65 111.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.7 t -59.93 127.78 33.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -82.99 36.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.19 -48.86 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.532 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.8 p -124.67 15.25 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t 54.31 48.66 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.568 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -123.43 121.05 4.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.879 HD13 ' HG2' ' A' ' 15' ' ' GLN . 5.3 mp -70.61 95.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 2.3 m-30 -107.48 163.99 12.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.5 p -72.85 154.76 40.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 tt -45.19 -32.02 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.05 -38.25 66.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 32.7 m170 -104.83 21.42 16.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 -75.07 -36.45 61.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -61.22 158.05 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -92.59 39.68 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.26 -40.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.9 p -60.28 -29.32 68.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.486 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 27.3 p-80 -120.46 30.8 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 33.16 52.37 0.53 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.447 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.5 t -45.43 133.77 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -68.86 -28.08 66.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 55.26 46.09 24.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -89.54 -35.35 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -58.11 -42.71 86.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 56' ' ' VAL . 4.6 p -116.14 107.21 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.3 t -101.83 141.19 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -65.71 110.97 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -37.79 139.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -77.85 136.23 62.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.83 55.34 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.718 2.279 . . . . 0.0 112.324 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -86.54 150.81 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.7 p -140.3 134.86 31.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.173 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -85.12 126.59 33.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -69.67 157.29 37.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -40.03 154.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -94.26 176.68 6.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.475 ' O ' ' C ' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -51.08 161.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.516 ' CE1' ' O ' ' A' ' 70' ' ' SER . 6.2 t80 -32.28 132.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.516 ' O ' ' CE1' ' A' ' 69' ' ' TYR . 8.4 t -119.32 176.09 5.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.95 129.08 45.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 166.05 28.88 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.742 2.295 . . . . 0.0 112.362 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 m -93.79 175.92 6.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.7 p -120.97 134.37 55.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.507 179.94 . . . . . . . . 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 1.451 -0.323 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -169.57 146.69 3.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.821 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 p -145.63 172.87 12.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.99 127.79 0.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -142.55 148.42 37.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -145.17 163.06 35.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.75 -168.76 18.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.3 mtp 63.38 42.13 7.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.536 ' O ' HD12 ' A' ' 11' ' ' LEU . . . -63.62 -15.82 59.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 64.13 31.75 13.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 9' ' ' ALA . 3.7 mp -142.85 113.42 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.78 81.36 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.7 mt -109.12 112.06 38.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.32 -126.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.609 ' HG2' HG21 ' A' ' 38' ' ' ILE . 71.3 tp60 -75.87 136.4 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.35 . . . . 0.0 110.927 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -134.36 159.34 41.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.486 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 17.4 t -71.2 108.22 4.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.517 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 23.4 mm-40 -41.89 -33.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.518 HG11 ' CE1' ' A' ' 21' ' ' HIS . 18.2 t -60.48 128.14 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 22' ' ' CYS . 4.1 tp60 -78.03 -74.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.518 ' CE1' HG11 ' A' ' 19' ' ' VAL . 4.6 p-80 -33.06 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' GLN . 21.2 t -46.97 125.66 7.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' O ' ' CD ' ' A' ' 23' ' ' ARG . 1.5 ppt_? -104.29 34.66 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -105.13 136.16 45.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -122.06 -46.7 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -98.05 84.86 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 17' ' ' CYS . 5.1 p90 -135.86 179.08 6.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -99.86 140.86 21.86 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.635 0.731 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 117.83 5.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -131.84 95.47 3.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 31' ' ' VAL . 8.3 p -55.38 114.58 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.5 t -58.54 133.85 56.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -82.35 36.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.413 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -142.48 -69.0 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.516 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.6 p -98.6 9.45 43.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 m 59.77 31.06 20.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.571 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -99.76 124.95 8.4 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.609 HG21 ' HG2' ' A' ' 15' ' ' GLN . 53.6 mt -76.75 97.71 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.893 0.378 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.571 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.5 m-30 -109.81 169.31 8.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 27' ' ' PHE . 18.5 p -66.58 -178.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.36 -46.49 79.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.47 -33.66 76.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -105.21 15.92 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 -67.36 -40.53 85.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -70.93 158.1 37.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.608 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 3.3 mtmp? -74.62 -59.45 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -47.43 -38.85 14.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.1 m -51.45 -49.16 62.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.608 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 34.4 p-80 -104.06 27.4 7.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 38.5 43.57 1.57 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.463 ' CB ' ' HG2' ' A' ' 46' ' ' LYS . 11.1 t -33.45 145.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -69.38 -20.35 63.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 47.61 46.31 17.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.51 -18.1 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 57' ' ' VAL . 76.0 m-20 -76.03 -48.7 19.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' ' 56' ' ' VAL . 29.4 m -63.61 73.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' ASN . 90.9 t -136.75 132.97 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -108.06 124.02 49.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -109.16 141.91 40.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -42.42 119.51 2.35 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.574 0.702 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 142.39 47.83 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.691 2.26 . . . . 0.0 112.34 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -93.92 133.81 36.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -141.36 153.37 45.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.76 111.9 1.62 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -42.29 136.72 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -135.73 156.28 49.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -105.99 170.92 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -141.89 148.98 39.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -104.97 177.7 4.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 t -133.79 172.43 12.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.09 157.73 20.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -177.19 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.256 . . . . 0.0 112.346 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -140.74 176.01 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -134.13 151.41 51.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.457 -179.969 . . . . . . . . 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 -0.316 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -92.97 110.33 21.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -157.65 107.89 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.59 -178.5 23.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.443 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -122.83 99.09 6.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.362 . . . . 0.0 110.876 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -88.97 99.62 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.66 121.98 5.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.6 mmm -98.37 -51.5 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' C ' ' OE1' ' A' ' 10' ' ' GLU . . . -83.52 145.9 28.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' OE1' ' C ' ' A' ' 9' ' ' ALA . 10.5 mp0 -143.13 130.7 21.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -163.13 131.53 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -112.44 152.46 28.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mt -68.67 105.9 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.83 54.7 0.61 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.86 155.66 25.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -145.98 151.99 38.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -79.77 103.73 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 18.2 mm-40 -39.07 -38.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 20' ' ' GLN . 40.4 t -50.63 153.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 22' ' ' CYS . 89.8 mm-40 -100.39 -74.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.6 p-80 -35.2 -31.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 20' ' ' GLN . 54.1 t -55.46 134.48 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -126.87 40.92 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -83.82 117.76 23.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -81.75 -63.77 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -105.04 89.03 3.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -123.9 176.5 6.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.1 mt -107.33 132.43 20.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.576 0.703 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 122.54 9.21 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -134.25 104.06 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.585 ' O ' HG13 ' A' ' 31' ' ' VAL . 8.0 p -57.98 110.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.7 t -57.81 129.14 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -80.23 41.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.72 -61.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -110.25 14.44 22.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 t 56.4 39.0 30.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.572 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -108.77 120.63 5.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.502 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.93 102.88 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.824 0.345 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.2 m-30 -114.71 164.04 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.4 p -63.11 178.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.85 -48.85 77.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -61.15 -34.0 74.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.405 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 45.4 m170 -105.08 17.4 24.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -68.62 -37.03 79.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.0 t -72.34 163.45 27.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.583 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 14.8 mttp -80.16 -60.09 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -41.71 -39.86 1.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.5 t -52.66 -45.82 66.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 31.9 p-80 -109.91 32.81 4.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.4 42.86 0.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.518 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 19.8 t -33.86 141.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.1 m -73.02 -20.99 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 56.9 48.52 15.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.89 -50.45 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -77.06 -40.73 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.409 HG22 ' H ' ' A' ' 56' ' ' VAL . 6.5 m -86.62 74.41 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.5 t -76.8 144.88 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -75.97 51.36 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -118.86 81.67 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -103.57 146.55 32.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 62' ' ' LYS . 54.2 Cg_endo -69.74 -173.76 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 61' ' ' PRO . 28.3 mtmm -36.71 142.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.3 p -46.13 120.82 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' GLU . 2.2 t70 -105.9 175.77 5.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' ASP . 1.7 tm-20 -37.23 124.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -128.05 174.17 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -56.53 155.04 7.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -73.9 169.13 18.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -44.79 109.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 t -95.77 169.4 10.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.8 110.02 2.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 168.79 20.5 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.1 m -76.19 153.52 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 m -122.05 167.24 13.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.534 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -128.12 176.92 7.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.832 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -149.69 144.26 25.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.39 -136.76 2.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -152.87 176.14 12.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.838 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 m -133.22 145.95 51.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.18 -155.88 11.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.9 mtt -157.39 153.72 27.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.78 146.75 30.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -111.02 87.03 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.4 mt -123.25 42.53 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -133.61 138.27 45.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 pt -92.28 -24.8 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.75 83.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.565 ' HG2' HD12 ' A' ' 38' ' ' ILE . 8.0 tp-100 -57.81 157.96 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 110.949 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -145.01 179.58 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 7.5 t -67.66 104.72 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.48 ' O ' ' NE2' ' A' ' 20' ' ' GLN . 10.7 mm100 -44.98 -34.28 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.469 HG12 ' H ' ' A' ' 22' ' ' CYS . 60.3 t -50.95 144.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 18' ' ' GLN . 7.4 mp0 -93.7 -72.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.401 ' CE1' HG11 ' A' ' 19' ' ' VAL . 4.7 p-80 -38.29 -29.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.469 ' H ' HG12 ' A' ' 19' ' ' VAL . 53.7 t -54.82 150.72 9.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -133.47 39.54 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -112.29 133.3 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -121.76 -62.95 1.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -77.3 47.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 17' ' ' CYS . 17.5 p90 -102.16 -179.51 4.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 mt -92.43 125.56 55.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 117.91 5.36 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -129.41 106.18 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 31' ' ' VAL . 2.2 p -62.96 108.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.8 t -56.55 126.34 26.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.437 ' C ' ' HE2' ' A' ' 46' ' ' LYS . 83.2 m-20 -81.43 40.22 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -141.17 -59.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -111.1 16.67 20.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 m 53.59 40.89 32.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.557 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -114.79 122.04 5.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.498 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.565 HD12 ' HG2' ' A' ' 15' ' ' GLN . 37.9 mt -76.25 100.25 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 111.142 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.557 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.3 m-30 -111.78 166.29 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.7 p -65.09 174.4 2.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 41' ' ' LEU . 7.2 tt -62.28 -39.11 91.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -69.59 -32.53 71.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -107.99 21.29 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -78.13 -34.17 50.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.0 t -73.32 151.87 41.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' HE2' ' C ' ' A' ' 33' ' ' ASP . 34.7 mttt -83.19 40.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -131.27 -38.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.9 m -67.43 -41.31 84.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.486 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 22.9 p-80 -103.4 28.16 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 32.78 47.57 0.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.46 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 50' ' ' GLY . 12.0 t -33.59 139.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.4 m -75.81 -16.61 60.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 52.75 49.96 19.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 58' ' ' LYS . 61.2 t -74.51 -31.16 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -83.74 -28.95 27.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.464 ' O ' ' C ' ' A' ' 57' ' ' VAL . 22.7 t -61.69 94.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 57' ' ' VAL . 14.6 p 32.29 47.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' GLU . 22.4 ttmt -143.86 144.21 31.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.6 mp0 -36.48 112.24 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -117.75 146.28 38.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 172.55 12.41 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.628 2.219 . . . . 0.0 112.359 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -133.97 43.47 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.1 p -83.01 -62.59 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -53.85 -175.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 62.2 47.42 5.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -72.4 -51.16 21.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -63.06 157.98 20.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.0 t -150.12 133.76 16.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.6 t80 66.07 52.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.2 t -122.78 95.52 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.84 119.04 2.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 141.43 45.1 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.9 t -93.96 128.89 40.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.3 p -91.1 177.29 6.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.206 -0.774 . . . . 0.0 112.439 -179.987 . . . . . . . . 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 -0.354 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 m -125.67 169.63 12.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.854 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 p -95.19 152.13 18.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.0 -167.29 17.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -141.06 152.04 44.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.922 0.391 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -142.11 125.56 16.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.26 109.9 2.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.412 ' C ' ' OE2' ' A' ' 10' ' ' GLU . 66.9 mtm -93.22 90.17 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.451 ' N ' ' OE2' ' A' ' 10' ' ' GLU . . . -113.12 79.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 9' ' ' ALA . 1.5 pm0 -167.0 127.42 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mp -111.47 -41.74 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' ILE . 9.7 t70 40.53 41.43 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' ASP . 49.3 mm -33.91 -38.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.73 -129.46 1.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -131.37 177.97 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -96.99 168.53 10.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 9.5 t -78.93 107.72 11.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.438 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 21.9 mm100 -42.85 -37.72 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.7 t -53.49 146.89 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' CYS . 95.4 mt-30 -96.47 -72.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.9 p-80 -37.14 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 20' ' ' GLN . 18.9 t -52.4 122.12 8.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -109.2 43.7 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -93.67 155.76 17.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 -149.23 147.89 28.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.11 46.02 27.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 17' ' ' CYS . 14.1 p90 -102.31 176.72 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 mt -94.6 126.87 45.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 125.78 12.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.731 2.287 . . . . 0.0 112.371 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -132.55 103.27 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 31' ' ' VAL . 7.6 p -55.76 110.48 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.2 t -57.65 134.91 56.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -86.9 37.93 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.9 -50.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.7 p -124.8 18.38 8.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 t 53.14 37.69 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -105.67 121.28 6.73 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.552 ' H ' HD12 ' A' ' 38' ' ' ILE . 4.8 mp -74.19 101.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.579 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.2 m-30 -113.98 171.21 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 20.7 p -69.93 -179.03 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 tp -65.18 -47.26 77.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -62.91 -35.24 79.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.412 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 31.6 m170 -102.53 13.9 33.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -66.03 -37.85 86.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.2 m -66.15 179.65 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.837 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 63.9 mttt -94.6 -67.15 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -41.28 -41.36 1.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.8 m -47.21 -43.8 21.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.514 ' CE1' ' HB2' ' A' ' 51' ' ' CYS . 32.0 p-80 -114.08 34.81 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.11 42.79 0.28 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.514 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 17.9 t -35.04 146.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.35 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.457 ' HB2' HG23 ' A' ' 54' ' ' VAL . 15.6 m -81.46 -15.88 53.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 54.69 50.07 16.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.457 HG23 ' HB2' ' A' ' 52' ' ' SER . 44.4 t -87.73 -49.77 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -52.68 -39.29 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.4 t -76.52 93.62 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -104.33 131.32 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -67.87 136.42 54.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -128.63 51.05 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.04 129.0 1.23 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -7.34 20.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -80.1 172.81 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.0 t -147.46 162.11 39.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -49.12 162.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -153.15 157.32 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -61.78 169.07 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 68' ' ' SER . 0.2 OUTLIER -137.73 146.03 43.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.443 ' N ' ' HD2' ' A' ' 67' ' ' LYS . 15.8 t -65.92 150.03 49.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -73.55 174.46 8.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.2 m -151.59 170.5 19.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.95 115.02 3.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -177.49 1.91 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.673 2.248 . . . . 0.0 112.317 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.4 t -147.3 175.61 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.0 p -163.63 174.37 11.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.166 -0.796 . . . . 0.0 112.494 -179.974 . . . . . . . . 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 1.452 -0.28 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -158.42 145.29 17.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.376 . . . . 0.0 110.874 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -129.24 145.64 51.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.88 63.5 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.453 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m -93.97 101.29 13.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.84 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -99.97 164.07 12.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.12 -173.68 13.66 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.527 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.2 mmm -149.71 141.48 23.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.46 116.15 31.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.078 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -121.6 125.34 46.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.4 mt -109.14 86.81 2.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' ILE . 1.7 m-20 38.18 42.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' ASP . 7.5 pt -36.24 112.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.113 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 132.42 118.62 1.97 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -93.13 138.48 31.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.335 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -131.32 175.51 9.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 t -67.71 105.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.82 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.403 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 60.6 mm-40 -39.43 -36.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.571 HG11 ' CE1' ' A' ' 21' ' ' HIS . 21.2 t -54.54 138.88 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 22' ' ' CYS . 68.0 mm-40 -86.42 -73.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.571 ' CE1' HG11 ' A' ' 19' ' ' VAL . 31.6 p80 -35.35 -30.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 20' ' ' GLN . 52.3 t -61.5 -70.35 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 56.47 41.26 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -83.81 156.99 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -134.85 -50.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -75.52 49.68 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 40' ' ' CYS . 29.2 p90 -127.56 177.44 6.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -112.57 141.54 25.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 118.88 5.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -132.31 97.56 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 31' ' ' VAL . 9.8 p -55.09 108.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.7 t -52.64 140.98 21.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -91.25 40.9 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . -146.22 -54.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.8 p -117.51 21.77 12.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.9 t 48.32 35.78 6.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.522 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -105.11 120.38 6.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.9 mt -74.64 99.26 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.359 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.522 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.7 m-30 -110.35 164.34 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.482 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 17.3 p -61.71 175.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.489 ' O ' HD23 ' A' ' 41' ' ' LEU . 10.0 tt -68.17 -21.55 64.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -81.39 -33.56 32.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 44' ' ' ARG . 12.5 m170 -99.32 -16.03 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' CYS . 16.9 ptt85 -36.52 -39.97 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.06 145.0 54.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 32.3 mttp -66.88 -53.11 35.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -46.91 -51.03 17.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -43.67 -61.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 31.1 p-80 -92.52 31.33 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 30.25 48.12 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 50' ' ' GLY . 9.5 t -35.33 141.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.327 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.5 p -70.8 -28.49 64.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 56.36 46.82 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 55' ' ' ASN . 9.2 p -107.41 -41.35 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 15.4 t-20 -43.08 -57.52 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.62 ' O ' HG23 ' A' ' 56' ' ' VAL . 29.9 m -69.16 84.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 57' ' ' VAL . 12.1 p -99.43 38.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -119.52 111.03 17.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -166.88 147.77 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -150.84 131.9 7.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.561 0.696 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 111.27 2.76 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -77.87 -50.58 11.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.0 t -69.24 157.21 37.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.9 t70 46.15 50.41 11.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -85.02 114.58 22.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -161.61 156.61 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.28 168.18 9.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.7 p -90.05 170.5 10.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -121.32 169.24 10.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.3 p -127.65 172.24 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -155.48 149.0 19.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -174.01 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.659 2.24 . . . . 0.0 112.308 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.0 t -170.01 166.44 9.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.2 165.69 12.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.828 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.494 -179.973 . . . . . . . . 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 -0.324 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 t -164.85 136.45 4.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 p -155.84 168.0 28.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.68 153.59 6.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -149.58 177.76 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -101.67 164.6 11.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.3 -123.38 3.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.79 153.18 32.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.83 118.28 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -128.75 102.15 6.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mp -97.68 38.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.66 103.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 pt -105.92 122.1 59.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.9 106.74 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -90.92 151.5 21.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -147.87 173.83 12.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.532 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 15.0 t -75.39 98.84 3.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 24.4 mm-40 -34.93 -34.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 17' ' ' CYS . 42.6 t -55.36 151.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' CYS . 59.0 mt-30 -98.52 -69.35 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -37.29 -28.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' GLN . 15.1 t -61.63 153.16 28.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 4.7 ptp180 -117.67 -33.41 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -38.43 131.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -115.92 -59.21 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -94.29 82.13 4.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 17' ' ' CYS . 5.9 p90 -125.36 -175.62 3.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.95 128.47 49.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 114.69 3.79 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.246 . . . . 0.0 112.378 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -126.82 92.47 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 31' ' ' VAL . 2.7 p -51.56 112.05 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.2 t -57.04 130.2 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.95 41.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.68 -58.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.54 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.3 p -114.34 19.55 16.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.792 0.33 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 95.9 p 51.43 34.73 12.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.577 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -103.93 121.33 7.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.4 mt -74.46 99.14 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.121 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.577 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.4 m-30 -112.58 163.23 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' HIS . 25.6 p -64.86 151.06 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 41' ' ' LEU . 6.9 tt -43.93 -31.79 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -73.02 -35.0 66.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' CYS . 42.4 m170 -107.39 21.14 17.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -74.75 -33.4 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 m -67.57 146.85 53.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 40.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -131.97 -44.29 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -61.29 -38.82 88.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 51' ' ' CYS . 18.4 p-80 -104.95 28.88 6.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 33.63 53.09 0.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 17.3 t -45.77 135.12 7.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.361 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.552 ' OG ' HG23 ' A' ' 54' ' ' VAL . 89.4 p -68.73 -28.84 67.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 62.2 46.83 5.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.552 HG23 ' OG ' ' A' ' 52' ' ' SER . 86.1 t -61.6 -50.69 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -53.88 -46.06 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.8 m -110.17 105.76 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 54' ' ' VAL . 89.4 t -123.27 135.26 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.49 140.5 45.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -118.84 134.76 54.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -77.23 155.09 82.27 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.631 0.729 . . . . 0.0 110.828 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 155.09 66.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -108.05 127.26 53.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.3 p -139.44 174.24 10.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.75 146.52 4.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -91.08 171.3 9.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -95.97 143.34 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.43 146.14 46.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.1 m -125.91 162.18 25.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -150.79 171.55 17.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 54.5 p -134.07 152.71 51.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.46 136.22 5.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -173.19 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.9 m -154.21 155.41 35.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.92 161.6 14.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.827 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.532 -179.99 . . . . . . . . 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 -0.344 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.3 m -152.42 172.85 15.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.835 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -147.11 168.95 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.83 178.04 26.66 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.447 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -139.63 147.98 41.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -142.44 134.88 27.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.41 148.24 18.9 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -100.08 138.33 37.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.84 127.03 24.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' ASP . 9.3 pt-20 -102.15 83.27 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.02 88.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' GLU . 25.7 t70 -64.67 93.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 13' ' ' ILE . 40.4 mt -76.24 61.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.14 116.94 1.25 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.478 ' NE2' ' HB ' ' A' ' 38' ' ' ILE . 14.1 tm0? -78.17 159.02 28.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -137.01 146.05 44.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -68.92 111.62 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.519 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 9.5 mm100 -41.36 -36.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 20' ' ' GLN . 48.8 t -53.84 154.04 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.428 ' N ' HG12 ' A' ' 19' ' ' VAL . 65.1 tp60 -100.37 -70.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -41.13 -28.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.451 ' SG ' ' CG ' ' A' ' 24' ' ' GLN . 18.0 t -56.71 -71.83 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 62.16 42.89 9.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.451 ' CG ' ' SG ' ' A' ' 22' ' ' CYS . 8.1 mm100 -84.24 172.01 12.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -163.26 137.86 6.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t70 70.97 43.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -113.4 174.62 5.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -88.39 128.29 53.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 120.81 7.53 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -131.95 101.54 5.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 31' ' ' VAL . 10.4 p -60.36 114.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.7 t -60.18 131.94 52.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -82.6 41.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.435 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -146.07 -65.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.5 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.1 p -104.15 17.84 23.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 m 50.61 41.62 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -112.52 124.14 6.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.478 ' HB ' ' NE2' ' A' ' 15' ' ' GLN . 82.1 mt -77.44 99.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.361 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.3 m-30 -110.94 165.49 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 p -64.36 153.3 38.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 tt -43.38 -40.06 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.14 -37.89 84.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 43.5 m170 -101.96 18.39 20.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -71.92 -34.66 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.8 t -75.41 141.94 43.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 25.3 mttt -57.67 -61.82 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -40.88 -50.02 3.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.2 m -43.86 -50.74 7.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 29.0 p-80 -105.81 31.22 5.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.813 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 33.52 43.29 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.455 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 50' ' ' GLY . 19.5 t -31.1 135.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 t -58.47 -31.25 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 56.81 45.33 21.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -94.78 -27.98 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 34' ' ' GLY . 29.8 m-20 -60.16 -42.19 94.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.5 m -94.42 40.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.1 p -82.52 140.53 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -85.32 85.22 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.7 153.88 49.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -64.71 144.63 98.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 171.83 13.74 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.716 2.277 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -40.01 143.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.488 HG22 ' N ' ' A' ' 64' ' ' ASP . 29.3 m -86.63 159.38 19.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.488 ' N ' HG22 ' A' ' 63' ' ' THR . 39.0 t70 -34.97 141.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -43.28 121.54 2.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' LYS . 80.7 m-70 -90.83 179.88 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' HIS . 25.9 mtpp -37.3 -56.96 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.7 p 43.13 43.39 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -78.74 166.02 22.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.8 p -168.17 173.67 7.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -154.01 133.46 3.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -35.58 12.38 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.297 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t 43.69 40.74 3.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.1 p -72.31 175.19 6.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.806 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.501 -179.963 . . . . . . . . 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 . . . . . 0.406 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.9 t -37.69 -58.51 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t 64.95 43.26 3.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.828 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.23 151.04 20.38 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 p -120.98 166.81 13.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 t -81.84 154.48 25.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.1 156.73 27.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.9 ttt -154.46 152.33 30.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.37 125.21 20.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -150.4 105.96 3.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.0 mt -146.8 127.17 13.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -61.99 122.95 16.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.3 mm -99.6 116.68 43.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.87 103.18 1.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.518 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.1 174.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -125.16 176.28 6.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 6.9 t -76.59 100.31 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.481 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 23.3 mm-40 -33.89 -36.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' CYS . 21.4 t -56.82 151.29 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' CYS . 10.4 tp-100 -98.39 -72.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' GLN . 17.4 p80 -35.63 -31.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.0 t -58.16 119.09 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' GLN . 88.6 mtt-85 -87.11 -27.26 23.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' ARG . 1.9 mp0 -37.41 148.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -153.92 171.39 19.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' ARG . 12.7 t0 36.05 47.74 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.493 ' CE2' ' HB3' ' A' ' 40' ' ' CYS . 3.7 p90 -105.13 -175.26 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -88.09 130.17 47.25 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.602 0.715 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 123.59 10.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -132.28 91.92 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 31' ' ' VAL . 13.7 p -53.01 114.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.2 t -58.3 141.74 50.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.44 44.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -152.83 -63.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.53 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.0 p -104.4 17.41 24.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 t 49.3 37.97 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.543 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -107.45 122.42 6.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.5 mt -74.71 97.52 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.543 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.9 m-30 -108.41 166.51 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.493 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 30.0 p -68.7 161.88 27.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tt -52.04 -29.52 21.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -73.59 -36.08 65.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -107.93 19.01 20.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -69.24 -34.72 75.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.0 134.3 36.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.584 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 22.4 mttp -50.47 -54.57 21.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -42.96 -51.9 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 m -44.43 -57.59 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.584 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 27.0 p-80 -97.82 29.09 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 33.63 49.01 0.52 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 50' ' ' GLY . 7.7 t -32.93 135.96 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.7 p -64.68 -30.04 71.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 57.98 44.21 19.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.88 -32.38 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 34' ' ' GLY . 33.7 m-20 -60.71 -44.77 96.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.6 m -106.59 103.75 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -89.37 131.99 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -48.46 173.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -46.77 133.82 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.454 ' CB ' HG23 ' A' ' 63' ' ' THR . 38.7 mmm-85 -37.74 142.78 0.41 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -91.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -40.04 -71.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.454 HG23 ' CB ' ' A' ' 60' ' ' ARG . 2.0 t -67.29 92.13 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.36 154.23 3.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -82.25 103.02 11.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -93.87 148.67 21.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -140.43 150.25 43.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.6 t -151.55 140.07 20.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -83.21 -48.54 10.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.5 m 61.63 48.84 5.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.36 122.36 6.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 157.68 59.49 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.637 2.225 . . . . 0.0 112.347 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.8 m -127.48 162.35 26.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.3 t -167.33 165.06 15.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.481 -179.963 . . . . . . . . 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 -0.304 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -119.2 173.93 6.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.889 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 p -149.31 165.56 31.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.53 139.67 2.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -159.99 137.64 9.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 m -141.44 151.26 43.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.26 167.31 25.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.36 133.64 20.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.36 168.13 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -173.19 137.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.7 mt -113.67 102.72 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -64.91 83.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.6 pt -108.11 126.29 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 40.72 73.57 0.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.503 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -63.06 158.96 18.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.946 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -103.68 148.96 25.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.4 t -60.39 108.67 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 45.3 mm-40 -40.6 -37.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.5 t -46.23 149.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -102.88 -46.35 4.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.505 ' C ' ' ND1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -75.6 7.81 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.487 ' SG ' ' CG ' ' A' ' 24' ' ' GLN . 4.4 t -88.23 -54.17 4.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 38.38 44.97 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.487 ' CG ' ' SG ' ' A' ' 22' ' ' CYS . 8.2 mm-40 -75.44 158.66 32.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' ASP . 27.8 mmt180 -118.94 141.5 48.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' ARG . 7.5 m-20 34.62 54.97 0.68 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.415 ' CG ' ' HB3' ' A' ' 40' ' ' CYS . 15.5 p90 -92.9 171.78 8.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mt -89.38 119.39 69.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.629 0.728 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 127.26 14.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.397 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -143.31 116.08 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 31' ' ' VAL . 1.6 p -69.09 108.09 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.9 t -55.78 123.62 14.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -79.25 43.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.57 -59.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.549 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.7 p -110.03 14.31 23.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t 54.91 38.2 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.525 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -110.66 121.75 5.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.0 mp -75.01 97.98 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.525 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.9 m-30 -108.97 164.83 12.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.415 ' HB3' ' CG ' ' A' ' 27' ' ' PHE . 20.3 p -64.15 -178.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.83 -47.34 78.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -64.3 -32.86 74.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 50.9 m170 -105.54 17.8 23.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -71.85 -38.76 70.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.3 p -68.67 170.63 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.405 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 29.4 mttp -103.05 40.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.17 -40.84 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.4 m -64.53 -40.51 95.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.438 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 24.1 p-80 -100.12 26.39 6.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 34.53 52.33 0.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 t -41.69 133.8 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.8 m -74.83 -27.83 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 54.53 46.11 25.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 55' ' ' ASN . 8.1 p -87.55 -40.43 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.406 ' N ' HG13 ' A' ' 54' ' ' VAL . 4.2 m-20 -44.65 -57.18 3.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.9 m -81.87 40.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.2 p -42.98 143.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -58.73 140.91 54.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 60' ' ' ARG . 5.7 mm-40 -107.33 175.36 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 59' ' ' GLU . 20.2 ttt180 -34.32 135.67 0.37 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.716 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 160.9 47.99 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -167.32 129.33 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.7 p -45.76 101.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -83.72 140.65 31.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.35 170.85 6.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.401 ' NE2' ' C ' ' A' ' 68' ' ' SER . 0.9 OUTLIER -90.6 139.63 30.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -100.22 -62.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.401 ' C ' ' NE2' ' A' ' 66' ' ' HIS . 66.2 m -138.94 164.46 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -135.03 168.91 18.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.8 p -128.2 177.89 6.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -125.92 133.98 8.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.498 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.7 p -138.58 176.42 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 87.6 p -119.42 174.54 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.501 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -149.1 111.1 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.824 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.9 t -171.19 160.72 6.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.76 129.39 4.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -141.61 137.72 32.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -149.31 176.68 10.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.48 132.27 3.66 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.2 mtt -87.13 165.67 15.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.14 136.17 49.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -131.12 109.67 10.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.5 mt -140.83 114.22 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.8 102.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.2 mt -92.96 105.22 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.57 86.79 0.29 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.512 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.567 ' HG3' HD13 ' A' ' 38' ' ' ILE . 36.2 mm-40 -52.18 174.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -133.55 175.15 9.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.7 t -80.12 105.39 11.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.504 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 40.9 mt-30 -39.7 -37.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.529 HG11 ' CE1' ' A' ' 21' ' ' HIS . 40.2 t -53.07 150.72 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 22' ' ' CYS . 29.4 tt0 -96.68 -69.99 0.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.529 ' CE1' HG11 ' A' ' 19' ' ' VAL . 17.4 p80 -36.47 -29.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 20' ' ' GLN . 10.9 t -62.04 159.37 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -128.86 -31.69 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -42.12 128.15 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -121.9 -48.3 2.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -86.83 54.77 3.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.587 ' CD2' ' HA ' ' A' ' 40' ' ' CYS . 51.4 p90 -111.92 -176.04 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.0 mt -98.64 128.04 33.93 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.612 0.72 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 117.63 5.21 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.324 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -122.93 94.24 4.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 31' ' ' VAL . 5.0 p -46.28 114.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.6 t -63.65 127.29 30.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.55 43.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.92 -53.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.444 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.0 p -119.32 10.26 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m 60.87 35.26 19.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.491 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -105.37 126.76 8.75 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.567 HD13 ' HG3' ' A' ' 15' ' ' GLN . 24.1 mt -77.98 100.62 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.898 0.38 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.504 ' CE1' ' HB2' ' A' ' 18' ' ' GLN . 1.6 m-30 -112.36 177.25 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.587 ' HA ' ' CD2' ' A' ' 27' ' ' PHE . 24.1 p -77.47 -177.87 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 tp -66.48 -46.78 75.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.974 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -64.96 -29.62 70.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -110.81 16.21 21.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 40' ' ' CYS . 4.7 ptm180 -68.34 -34.4 76.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.9 p -71.67 178.27 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -91.4 -61.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -42.74 -46.89 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -45.02 -40.28 6.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 33.6 p-80 -118.46 33.22 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 35.02 41.24 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 16.7 t -34.48 147.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.7 m -72.64 -17.71 61.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' HB3' ' CG1' ' A' ' 57' ' ' VAL . 52.3 mt-10 50.07 54.5 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 81.4 t -86.45 -51.25 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -45.46 -37.59 5.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 57' ' ' VAL . 10.3 m -125.6 -174.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 57' ' ' VAL . 14.0 p 35.07 38.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -143.0 140.16 30.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -48.52 104.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -118.96 142.43 31.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 90.92 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -152.75 134.8 14.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 t -46.4 118.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.102 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -108.97 174.8 5.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -55.33 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -55.07 178.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -112.67 152.6 28.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.1 p -64.87 163.16 14.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -110.66 169.79 8.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.4 p -125.88 177.63 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.43 130.17 5.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -173.68 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 t -141.95 174.91 10.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.4 p -125.8 169.93 12.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.495 -179.999 . . . . . . . . 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 . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 1' ' ' GLY . 4.2 m -35.62 150.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -88.12 -56.8 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.85 103.47 0.17 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 m -112.62 110.56 20.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.382 . . . . 0.0 110.829 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -168.82 111.73 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.64 42.16 0.49 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ttt -101.98 156.45 17.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.15 159.32 17.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -120.25 100.02 6.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mp -126.77 82.66 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.91 144.11 40.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.26 108.3 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.75 71.42 0.16 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -80.53 160.49 25.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -136.05 173.96 11.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.0 t -73.62 104.92 4.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.483 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 23.4 mm100 -37.92 -37.36 0.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.429 HG11 ' CE1' ' A' ' 21' ' ' HIS . 42.3 t -55.86 129.66 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 22' ' ' CYS . 18.4 mt-30 -79.42 -68.5 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.429 ' CE1' HG11 ' A' ' 19' ' ' VAL . 29.2 p80 -42.01 -24.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 23' ' ' ARG . 1.8 t -67.34 -50.58 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 22' ' ' CYS . 14.0 ptt180 31.34 44.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -69.98 162.37 28.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -136.72 130.26 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.5 t70 69.81 44.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -106.17 174.44 5.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.1 mt -102.75 125.75 34.76 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.68 9.37 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.36 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -133.07 101.63 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 p -53.87 116.7 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.8 t -64.54 140.6 58.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -89.09 38.92 0.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.1 -58.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.436 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.8 p -112.77 21.82 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 m 46.23 42.47 10.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -110.72 122.5 6.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.514 HD12 ' H ' ' A' ' 38' ' ' ILE . 5.1 mp -74.84 97.37 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.7 m-30 -108.47 169.06 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' HIS . 27.9 p -73.84 150.86 40.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 41' ' ' LEU . 10.4 tt -43.12 -30.74 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.46 -37.69 68.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 33.7 m170 -107.17 18.96 21.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -68.56 -32.13 71.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.812 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.4 t -71.78 147.07 47.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.58 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 44.1 mttt -67.54 -55.21 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -46.7 -49.4 19.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -44.82 -50.84 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.58 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 25.3 p-80 -104.68 26.55 8.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.81 48.23 0.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.482 ' C ' ' O ' ' A' ' 50' ' ' GLY . 19.1 t -31.26 138.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 t -61.1 -21.91 64.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 60.8 51.23 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.515 HG22 ' HE ' ' A' ' 60' ' ' ARG . 99.1 t -86.14 -45.52 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -84.18 32.81 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.67 -175.13 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.9 t -44.15 139.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.6 tptt 61.46 52.79 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.1 mp0 -49.66 158.68 0.43 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.515 ' HE ' HG22 ' A' ' 54' ' ' VAL . 12.6 mtm180 -79.64 162.68 62.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.565 0.698 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.98 68.83 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -79.82 113.63 18.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.4 p -117.68 37.09 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -129.35 125.07 35.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -80.37 172.13 14.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -59.0 140.3 55.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -90.98 178.65 5.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 t -67.06 175.04 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -96.27 169.14 10.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.9 p -92.6 169.66 10.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.872 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -133.67 134.57 7.54 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 166.34 27.9 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.708 2.272 . . . . 0.0 112.374 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 61.0 p -172.96 171.07 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.0 m -156.7 171.3 20.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.494 179.98 . . . . . . . . 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 -0.365 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m 56.14 42.15 28.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -124.0 -52.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.79 -147.65 8.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 t -119.0 171.76 8.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.834 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.6 p -82.44 118.5 23.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.73 134.72 12.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.1 mmt -129.87 139.06 51.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -155.88 135.37 12.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.106 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -139.47 138.08 36.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 tp -109.97 93.73 4.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -113.77 130.11 56.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 pt -101.41 120.93 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.94 41.11 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.512 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 2.1 pp0? -60.06 158.93 10.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -165.1 173.61 11.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.813 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.0 t -70.28 104.02 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.437 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 17.0 mm100 -41.93 -35.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.428 HG11 ' CE1' ' A' ' 21' ' ' HIS . 49.1 t -55.12 143.18 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 22' ' ' CYS . 15.6 mm100 -92.62 -73.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.7 p-80 -34.77 -32.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' GLN . 37.0 t -52.4 136.77 30.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.51 29.85 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -75.21 144.62 42.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.6 mtp85 -124.36 154.78 39.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 t0 38.52 42.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -86.16 172.66 10.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.2 mt -94.87 131.91 29.44 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.651 0.738 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 129.6 17.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -139.92 108.82 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 31' ' ' VAL . 2.2 p -67.41 105.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.5 t -54.72 124.48 16.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.434 ' C ' ' HE2' ' A' ' 46' ' ' LYS . 1.4 m-20 -81.02 39.69 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.93 -59.5 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.0 p -110.23 12.21 23.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 t 58.23 38.72 26.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.539 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -113.2 123.83 6.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.5 mp -76.0 98.37 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.539 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.6 m-30 -110.16 163.27 13.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.7 p -64.92 156.55 30.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.454 HD23 ' C ' ' A' ' 41' ' ' LEU . 9.0 tt -48.73 -32.48 8.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -32.93 63.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -109.2 21.5 17.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -76.47 -30.67 57.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.5 p -70.17 153.09 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HE2' ' C ' ' A' ' 33' ' ' ASP . 52.5 mttt -87.91 37.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -130.08 -38.76 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.8 p -64.32 -39.99 95.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' GLY . 30.5 p-80 -105.91 27.12 8.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.58 48.42 0.67 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLY . 6.1 t -34.09 131.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.9 m -64.59 -27.75 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 54.44 47.42 22.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -85.0 -26.31 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -69.59 -47.62 62.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.4 p -130.38 108.08 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 p -86.28 150.17 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' O ' ' HD3' ' A' ' 58' ' ' LYS . 3.8 tmtt? -84.89 -0.24 53.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -109.0 47.13 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -163.87 129.13 2.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.671 ' O ' HG23 ' A' ' 63' ' ' THR . 53.5 Cg_endo -69.77 124.57 11.21 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.654 2.236 . . . . 0.0 112.325 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.6 112.66 0.58 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 61' ' ' PRO . 67.9 p -114.77 154.95 27.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.98 96.34 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -133.43 116.02 15.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 59.46 43.4 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.82 126.78 52.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.5 t -154.8 140.95 18.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -162.1 113.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -156.3 153.89 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.42 69.3 0.21 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 118.98 6.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 81.9 p -148.43 144.1 27.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 t -149.53 166.83 28.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.495 -179.963 . . . . . . . . 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 1.452 -0.264 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -126.39 -55.14 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 t -101.12 122.76 44.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.86 44.14 1.57 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -45.67 108.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 m -53.93 156.88 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.45 87.21 0.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -83.87 166.52 17.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.311 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.91 133.88 50.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -103.93 125.3 50.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.7 mt -106.95 43.82 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -97.15 40.3 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 13' ' ' ILE . 6.2 mt 40.43 47.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . 87.43 60.63 1.62 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' GLY . 51.2 tp60 -35.73 147.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.406 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -108.65 174.54 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 t -68.32 112.43 5.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.412 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 20.9 mt-30 -47.84 -35.6 10.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 t -50.25 153.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -96.62 -74.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -37.93 -33.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.1 t -49.83 -75.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 57.15 35.49 26.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -67.16 151.41 47.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -111.26 -50.45 2.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.8 82.7 1.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.431 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 15.6 p90 -133.71 175.16 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -108.28 130.06 23.26 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.601 0.715 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 123.82 10.5 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.664 2.242 . . . . 0.0 112.406 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -137.99 117.04 12.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 31' ' ' VAL . 1.6 p -67.83 115.75 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.7 t -66.1 122.84 18.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -77.86 45.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -147.89 -53.14 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.7 p -117.05 9.04 13.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.0 t 60.12 39.2 19.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -112.04 123.58 6.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.532 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.08 96.91 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.6 m-30 -108.11 168.26 9.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 43' ' ' HIS . 25.1 p -72.55 149.57 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.402 ' C ' HD23 ' A' ' 41' ' ' LEU . 8.2 tt -40.51 -36.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -69.63 -38.03 77.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 40' ' ' CYS . 45.9 m170 -102.7 19.73 18.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -70.93 -37.7 72.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.7 t -61.79 165.19 5.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -98.34 21.35 11.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -111.35 -39.36 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.9 m -60.47 -47.34 86.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' GLY . 33.1 p-80 -101.19 22.92 11.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 35.97 52.94 1.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 50' ' ' GLY . 4.7 t -34.4 128.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.347 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 m -71.57 -18.19 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 46.37 51.07 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -82.21 -36.72 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -61.06 -40.73 94.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.5 p -136.62 109.27 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.514 ' O ' HG22 ' A' ' 57' ' ' VAL . 9.6 p -126.41 40.04 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -163.88 124.7 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.62 79.26 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -161.51 141.33 7.86 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 107.66 1.9 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -126.09 41.88 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.2 p -151.4 172.66 15.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -117.91 113.04 21.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 -118.91 144.85 46.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -87.63 151.59 22.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -43.91 153.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 70' ' ' SER . 30.1 t -155.15 123.96 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.575 ' CG ' ' O ' ' A' ' 69' ' ' TYR . 21.0 p90 -52.27 90.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' SER . 19.3 m -153.24 149.69 28.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.28 145.31 17.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.529 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 167.15 25.24 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.368 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 m -114.97 -51.77 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.2 m -90.21 -55.2 3.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.522 -179.965 . . . . . . . . 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 1.452 -0.297 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -51.37 -55.78 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.859 0.361 . . . . 0.0 110.895 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -170.77 171.29 6.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.49 -167.44 20.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -155.18 161.35 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.82 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -161.26 147.41 14.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.46 141.82 8.8 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.3 tpt -80.22 157.63 26.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.68 121.51 8.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -145.44 142.12 29.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 11' ' ' LEU . 1.4 pt? -140.52 126.01 18.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.76 85.82 2.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 pt -56.9 -25.41 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 46.66 72.1 0.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.433 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -55.01 170.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 0.0 110.916 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -145.62 174.79 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.5 t -74.24 103.87 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.448 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 34.4 mm-40 -41.24 -37.35 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.555 HG11 ' CE1' ' A' ' 21' ' ' HIS . 11.6 t -54.16 145.01 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' HIS . 10.0 mm100 -94.02 -67.3 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.555 ' CE1' HG11 ' A' ' 19' ' ' VAL . 12.3 p80 -38.11 -33.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.441 ' N ' ' ND1' ' A' ' 21' ' ' HIS . 39.8 t -56.9 133.36 54.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -120.53 72.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -116.8 134.63 54.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -101.99 -50.97 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -123.42 78.53 1.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -110.41 -179.82 3.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.4 mt -99.3 124.95 43.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 126.01 12.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -138.71 110.21 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.409 HG12 ' H ' ' A' ' 31' ' ' VAL . 2.3 p -65.4 109.92 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.7 t -58.7 126.53 28.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -80.88 41.74 0.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.1 -57.41 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.449 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.2 p -113.51 12.7 18.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.326 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.0 m 58.1 36.96 26.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -110.14 122.23 6.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.446 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.67 98.01 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.4 m-30 -109.79 163.98 13.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 43' ' ' HIS . 27.5 p -68.03 152.53 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD23 ' C ' ' A' ' 41' ' ' LEU . 9.5 tt -43.48 -35.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -69.73 -36.57 75.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.432 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 33.3 m170 -106.17 21.08 17.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.2 ptt-85 -74.44 -30.34 61.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 m -68.72 150.91 47.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 40.1 mttt -86.23 35.26 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.34 -40.14 1.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.2 p -62.44 -40.77 97.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' GLY . 34.2 p-80 -102.32 23.71 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 37.53 51.25 1.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.3 t -40.44 126.18 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -64.81 -19.56 65.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 47.34 52.12 12.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -39.7 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -55.24 -45.54 76.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 56' ' ' VAL . 27.3 m -74.15 85.27 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.7 t -66.47 143.7 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -55.5 142.49 32.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -46.1 107.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -99.36 136.25 20.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 91.53 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.24 . . . . 0.0 112.329 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 63' ' ' THR . 3.4 ttmm -120.0 159.67 24.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 62' ' ' LYS . 7.4 t -36.07 142.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -97.1 162.98 13.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -77.74 168.87 19.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -67.75 169.53 9.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -121.3 133.92 55.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.7 p -100.7 169.37 9.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -145.62 167.54 22.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.9 m -163.46 178.84 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -125.28 160.89 19.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.24 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -165.81 175.5 8.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.3 t -170.65 134.24 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.5 180.0 . . . . . . . . 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 -0.281 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m 60.02 42.11 16.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 110.917 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t -112.05 131.56 55.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.85 140.04 2.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 p -163.81 144.74 8.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.381 . . . . 0.0 110.826 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -122.61 139.88 53.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.48 -176.02 14.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 tpt -172.55 124.53 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.312 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.94 134.48 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -112.17 40.66 2.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.34 93.93 5.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -66.23 102.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 pt -113.04 -174.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.82 -127.29 0.88 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.752 ' HG2' HG21 ' A' ' 38' ' ' ILE . 2.1 pm0 -111.53 152.28 27.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.89 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -146.27 177.96 8.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 t -73.59 103.18 4.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -45.71 -33.26 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.34 150.45 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' CYS . 21.0 tt0 -99.37 -72.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.2 p-80 -37.03 -29.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 20' ' ' GLN . 44.3 t -54.0 128.39 30.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mtp-105 -118.7 39.54 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -85.11 174.57 9.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -167.66 140.04 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 62.38 41.51 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 5.1 p90 -98.28 171.31 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 70.9 mt -87.65 134.65 35.31 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.564 0.697 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.34 9.02 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 32.0 m-85 -140.55 109.85 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.479 ' N ' HD13 ' A' ' 38' ' ' ILE . 2.1 p -73.23 110.45 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.3 t -45.74 139.22 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -84.29 35.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.74 -59.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 p -108.88 23.79 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.9 p 40.05 49.03 2.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.611 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -114.34 119.04 4.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.752 HG21 ' HG2' ' A' ' 15' ' ' GLN . 6.3 mm -65.96 94.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 111.18 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.611 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 2.5 m-30 -107.06 164.32 12.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 44' ' ' ARG . 25.3 p -71.52 162.17 29.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 tp -45.02 -50.07 10.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -60.33 -40.68 91.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -97.22 16.08 20.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 40' ' ' CYS . 14.0 ptt180 -66.84 -34.05 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -71.13 176.96 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.549 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 52.0 mttt -92.01 -64.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -42.49 -41.74 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -45.09 -47.85 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.549 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 44.1 p-80 -107.3 31.06 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 40.12 39.59 1.57 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.463 ' C ' ' O ' ' A' ' 50' ' ' GLY . 17.0 t -33.47 136.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.8 m -78.48 -28.12 46.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 57.44 50.02 11.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -100.79 -33.24 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 55' ' ' ASN . 1.2 t30 -62.44 -59.23 5.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 56' ' ' VAL . 18.6 m -65.04 80.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 p -117.89 148.51 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -47.34 108.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -67.0 167.14 12.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 9.4 ptm180 -56.68 111.51 3.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.631 0.729 . . . . 0.0 110.844 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 60' ' ' ARG . 53.9 Cg_endo -69.8 128.1 15.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.698 2.266 . . . . 0.0 112.372 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 171.79 2.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.0 m -66.57 129.63 40.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.129 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -65.85 162.79 18.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -50.96 -61.23 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -56.9 99.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -120.67 -43.5 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.5 m -141.41 175.74 9.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 58.3 41.18 23.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.2 m -158.25 155.04 28.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 150.99 -64.03 0.39 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 147.43 62.79 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 m -157.16 165.9 34.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.5 p -48.9 138.16 11.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.492 -179.993 . . . . . . . . 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 -0.247 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 m -149.06 173.38 13.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 t -153.83 140.72 19.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.98 -173.19 27.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -120.87 119.25 32.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -145.54 168.27 21.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.33 66.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.4 163.78 25.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.86 148.85 25.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -132.14 83.91 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.3 tp -128.44 89.86 2.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -91.02 116.8 29.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.3 mt -100.33 109.74 25.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.74 53.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -71.36 163.6 27.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -114.83 164.46 14.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.6 t -61.23 99.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 5.7 mm100 -37.94 -35.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 22' ' ' CYS . 36.5 t -53.47 138.74 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -90.27 -64.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -41.89 -32.27 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.418 ' H ' HG12 ' A' ' 19' ' ' VAL . 43.0 t -60.35 137.2 58.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -130.8 41.23 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -87.63 141.51 28.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -130.63 137.12 49.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.6 t70 71.21 44.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 6.9 p90 -102.01 173.89 6.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.2 mt -97.14 138.41 21.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 118.75 5.87 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.639 2.226 . . . . 0.0 112.323 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -132.39 99.5 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 p -58.73 122.11 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.5 t -66.33 142.73 57.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.18 40.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.408 ' HA3' ' SG ' ' A' ' 51' ' ' CYS . . . -145.37 -42.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.6 p -129.83 19.62 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.8 m 47.74 45.51 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.559 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -115.71 124.21 6.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.85 102.08 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.3 m-30 -115.42 163.05 16.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.9 p -57.22 -178.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 tp -65.9 -48.28 71.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.87 -38.04 86.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -100.43 18.69 18.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -72.74 -40.49 66.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 m -93.64 161.57 14.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -69.73 -172.83 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t0 61.67 24.98 14.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 t -134.98 -33.71 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -121.88 15.61 10.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.57 39.03 96.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.408 ' SG ' ' HA3' ' A' ' 34' ' ' GLY . 8.3 t -43.11 126.99 4.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -61.27 -35.4 77.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 64.28 46.9 3.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.61 -36.56 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.72 ' OD1' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -53.02 -37.69 61.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.72 HG13 ' OD1' ' A' ' 55' ' ' ASN . 35.3 m -79.3 41.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.462 ' O ' ' C ' ' A' ' 58' ' ' LYS . 9.8 p -82.87 144.22 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 57' ' ' VAL . 2.6 mmmm -33.66 145.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -125.86 135.86 52.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -72.58 128.56 88.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 63' ' ' THR . 53.5 Cg_endo -69.76 -179.84 3.2 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -46.61 121.32 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 64' ' ' ASP . 18.6 p -120.41 126.45 50.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 63' ' ' THR . 26.4 p-10 -34.59 129.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -143.02 162.1 36.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -78.9 135.17 36.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -100.34 133.88 44.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.0 m -101.72 149.33 24.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -97.03 176.38 5.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 94.8 p -157.25 167.28 30.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 169.45 132.27 1.42 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -49.2 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.9 m 52.68 43.21 31.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.6 p -103.42 169.56 8.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.43 -179.987 . . . . . . . . 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 ' 16' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.821 0.343 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.6 t -76.65 110.04 10.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -43.77 -38.27 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.521 HG11 ' CE1' ' A' ' 21' ' ' HIS . 21.8 t -50.79 138.51 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 22' ' ' CYS . 8.8 mt-30 -86.25 -75.07 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.521 ' CE1' HG11 ' A' ' 19' ' ' VAL . 5.7 p-80 -35.28 -32.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 20' ' ' GLN . 32.4 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.5 p90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.86 0.362 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 mt -85.1 134.06 41.74 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.654 0.74 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.71 11.35 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.471 ' CG ' ' NH1' ' A' ' 44' ' ' ARG . 39.4 m-85 -141.66 111.71 6.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 p -73.63 123.48 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.8 t -65.48 129.86 41.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -79.47 43.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.63 -69.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.8 p -98.48 12.96 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m 53.12 43.91 31.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.496 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -112.59 126.2 7.43 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 mt -75.55 101.34 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.496 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.7 m-30 -112.2 165.71 11.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 p -66.28 178.85 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 tt -66.44 -36.66 83.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.42 -25.19 61.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -114.97 17.34 16.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.471 ' NH1' ' CG ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -68.24 -37.6 80.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.02 161.73 30.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -72.59 -59.79 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -49.83 -39.25 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.9 m -47.09 -34.81 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 51' ' ' CYS . 39.1 p-80 -125.19 25.32 7.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 40.98 44.04 3.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.522 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 26.8 t -33.1 139.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t -65.94 -27.16 67.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.879 0.371 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -80.17 106.49 12.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 79.0 mm-40 -38.78 -39.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.454 HG11 ' CE1' ' A' ' 21' ' ' HIS . 27.9 t -52.62 136.88 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -88.52 -55.14 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.454 ' CE1' HG11 ' A' ' 19' ' ' VAL . 13.8 p80 -52.0 -17.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.8 p90 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.1 mt -101.04 129.2 27.7 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 118.82 5.91 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -132.99 99.78 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 31' ' ' VAL . 3.3 p -54.93 110.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.1 t -53.86 137.91 37.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -85.8 42.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.05 -57.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.5 p -113.38 18.24 17.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 t 49.69 38.58 15.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.581 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -106.76 120.14 6.15 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 83.6 mt -71.82 99.8 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.581 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.6 m-30 -112.1 162.94 14.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 43' ' ' HIS . 26.0 p -65.51 147.79 52.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tp -36.07 -49.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.78 -41.38 86.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 40' ' ' CYS . 34.2 m170 -96.32 16.73 17.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -66.35 -34.37 77.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 t -64.95 165.49 10.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.599 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 10.8 mttp -89.19 -60.5 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -43.33 -46.53 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.4 m -42.41 -52.7 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.599 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 34.1 p-80 -101.82 36.48 2.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 33.44 43.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLY . 13.6 t -35.6 137.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.8 m -67.74 -34.1 76.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 16' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.5 t -70.29 95.64 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.435 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 22.2 mm-40 -39.76 -35.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.622 HG11 ' CE1' ' A' ' 21' ' ' HIS . 24.1 t -51.8 145.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -104.35 -33.96 8.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.622 ' CE1' HG11 ' A' ' 19' ' ' VAL . 4.5 p80 -72.0 -11.13 60.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.431 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 50.7 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.421 ' CD1' ' HA ' ' A' ' 40' ' ' CYS . 48.6 p90 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.901 0.381 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt -99.69 133.82 21.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 117.04 4.85 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -131.82 93.32 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' ' 31' ' ' VAL . 7.3 p -52.9 111.78 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.4 t -54.98 133.65 48.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -83.03 37.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.32 -65.8 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.0 p -106.01 21.02 18.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.362 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.4 p 49.57 33.42 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.558 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -99.22 121.54 7.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.401 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.7 mp -74.6 98.41 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 111.131 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.5 m-30 -111.35 165.54 11.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.421 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 31.2 p -65.55 -176.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 tp -68.68 -44.63 73.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -66.26 -23.87 66.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 32.8 m170 -116.39 17.46 15.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -69.88 -29.74 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -76.5 174.59 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 18.7 mttp -87.57 -61.03 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -44.28 -42.06 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.1 p -46.59 -42.89 16.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 46.8 p-80 -115.27 27.13 9.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 39.32 42.75 1.86 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.531 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 50' ' ' GLY . 8.7 t -33.93 143.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.371 . . . . 0.0 110.839 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 m -81.77 -25.49 35.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m170 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 t -79.73 110.65 15.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -47.73 -37.18 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.489 HG11 ' CE1' ' A' ' 21' ' ' HIS . 25.2 t -55.82 134.57 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' CYS . 11.3 mm-40 -86.07 -68.53 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.489 ' CE1' HG11 ' A' ' 19' ' ' VAL . 28.1 p80 -38.06 -29.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' GLN . 9.3 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.5 p90 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.904 0.383 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mp -102.11 140.8 21.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.576 0.703 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 122.55 9.22 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -134.88 95.07 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 31' ' ' VAL . 8.2 p -54.65 111.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.7 t -59.93 127.78 33.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -82.99 36.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.19 -48.86 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.532 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.8 p -124.67 15.25 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t 54.31 48.66 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.568 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -123.43 121.05 4.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.524 HD12 ' H ' ' A' ' 38' ' ' ILE . 5.3 mp -70.61 95.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 2.3 m-30 -107.48 163.99 12.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.5 p -72.85 154.76 40.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 tt -45.19 -32.02 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.05 -38.25 66.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 32.7 m170 -104.83 21.42 16.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 -75.07 -36.45 61.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -61.22 158.05 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -92.59 39.68 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.26 -40.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.9 p -60.28 -29.32 68.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.486 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 27.3 p-80 -120.46 30.8 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 33.16 52.37 0.53 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.447 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.5 t -45.43 133.77 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -68.86 -28.08 66.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 p80 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.486 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 17.4 t -71.2 108.22 4.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.517 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 23.4 mm-40 -41.89 -33.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.518 HG11 ' CE1' ' A' ' 21' ' ' HIS . 18.2 t -60.48 128.14 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 22' ' ' CYS . 4.1 tp60 -78.03 -74.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.518 ' CE1' HG11 ' A' ' 19' ' ' VAL . 4.6 p-80 -33.06 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' GLN . 21.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 17' ' ' CYS . 5.1 p90 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -99.86 140.86 21.86 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.635 0.731 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 117.83 5.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -131.84 95.47 3.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.548 ' O ' HG13 ' A' ' 31' ' ' VAL . 8.3 p -55.38 114.58 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.5 t -58.54 133.85 56.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -82.35 36.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.48 -69.0 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.516 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.6 p -98.6 9.45 43.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 m 59.77 31.06 20.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.571 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -99.76 124.95 8.4 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.6 mt -76.75 97.71 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.893 0.378 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.571 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.5 m-30 -109.81 169.31 8.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 27' ' ' PHE . 18.5 p -66.58 -178.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.36 -46.49 79.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.47 -33.66 76.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -105.21 15.92 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 -67.36 -40.53 85.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -70.93 158.1 37.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.608 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 3.3 mtmp? -74.62 -59.45 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -47.43 -38.85 14.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.1 m -51.45 -49.16 62.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.608 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 34.4 p-80 -104.06 27.4 7.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 38.5 43.57 1.57 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.463 ' CB ' ' HG2' ' A' ' 46' ' ' LYS . 11.1 t -33.45 145.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -69.38 -20.35 63.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.892 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.8 p80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -79.77 103.73 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 18.2 mm-40 -39.07 -38.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 20' ' ' GLN . 40.4 t -50.63 153.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 22' ' ' CYS . 89.8 mm-40 -100.39 -74.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.6 p-80 -35.2 -31.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 20' ' ' GLN . 54.1 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.6 p90 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.864 0.364 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.1 mt -107.33 132.43 20.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.576 0.703 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 122.54 9.21 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -134.25 104.06 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.585 ' O ' HG13 ' A' ' 31' ' ' VAL . 8.0 p -57.98 110.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.7 t -57.81 129.14 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -80.23 41.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.72 -61.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -110.25 14.44 22.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 t 56.4 39.0 30.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.572 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -108.77 120.63 5.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.502 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.93 102.88 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.824 0.345 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.2 m-30 -114.71 164.04 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.4 p -63.11 178.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.85 -48.85 77.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -61.15 -34.0 74.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.405 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 45.4 m170 -105.08 17.4 24.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -68.62 -37.03 79.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.0 t -72.34 163.45 27.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.583 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 14.8 mttp -80.16 -60.09 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -41.71 -39.86 1.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.5 t -52.66 -45.82 66.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 31.9 p-80 -109.91 32.81 4.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.4 42.86 0.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.518 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 19.8 t -33.86 141.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.1 m -73.02 -20.99 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.886 0.374 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 7.5 t -67.66 104.72 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 10.7 mm100 -44.98 -34.28 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.469 HG12 ' H ' ' A' ' 22' ' ' CYS . 60.3 t -50.95 144.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' CYS . 2.9 mp0 -93.7 -72.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.401 ' CE1' HG11 ' A' ' 19' ' ' VAL . 4.7 p-80 -38.29 -29.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.469 ' H ' HG12 ' A' ' 19' ' ' VAL . 53.7 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 17' ' ' CYS . 17.5 p90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.897 0.379 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 mt -92.43 125.56 55.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 117.91 5.36 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -129.41 106.18 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 31' ' ' VAL . 2.2 p -62.96 108.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.8 t -56.55 126.34 26.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.437 ' C ' ' HE2' ' A' ' 46' ' ' LYS . 83.2 m-20 -81.43 40.22 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -141.17 -59.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -111.1 16.67 20.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 m 53.59 40.89 32.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.557 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -114.79 122.04 5.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.498 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.9 mt -76.25 100.25 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.557 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.3 m-30 -111.78 166.29 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.7 p -65.09 174.4 2.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 41' ' ' LEU . 7.2 tt -62.28 -39.11 91.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -69.59 -32.53 71.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -107.99 21.29 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -78.13 -34.17 50.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.0 t -73.32 151.87 41.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' HE2' ' C ' ' A' ' 33' ' ' ASP . 34.7 mttt -83.19 40.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -131.27 -38.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.9 m -67.43 -41.31 84.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.486 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 22.9 p-80 -103.4 28.16 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 32.78 47.57 0.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.46 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 50' ' ' GLY . 12.0 t -33.59 139.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.4 m -75.81 -16.61 60.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 9.5 t -78.93 107.72 11.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.438 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 21.9 mm100 -42.85 -37.72 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.7 t -53.49 146.89 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' CYS . 95.4 mt-30 -96.47 -72.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.9 p-80 -37.14 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 20' ' ' GLN . 18.9 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 17' ' ' CYS . 14.1 p90 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.861 0.362 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 mt -94.6 126.87 45.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 125.78 12.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.731 2.287 . . . . 0.0 112.371 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -132.55 103.27 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 31' ' ' VAL . 7.6 p -55.76 110.48 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.2 t -57.65 134.91 56.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -86.9 37.93 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.9 -50.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.7 p -124.8 18.38 8.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 t 53.14 37.69 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -105.67 121.28 6.73 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.552 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.8 mp -74.19 101.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.579 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.2 m-30 -113.98 171.21 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 20.7 p -69.93 -179.03 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 tp -65.18 -47.26 77.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -62.91 -35.24 79.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.412 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 31.6 m170 -102.53 13.9 33.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -66.03 -37.85 86.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.2 m -66.15 179.65 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.837 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 63.9 mttt -94.6 -67.15 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -41.28 -41.36 1.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.8 m -47.21 -43.8 21.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.514 ' CE1' ' HB2' ' A' ' 51' ' ' CYS . 32.0 p-80 -114.08 34.81 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.11 42.79 0.28 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.514 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 17.9 t -35.04 146.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.35 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 m -81.46 -15.88 53.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 p80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.819 0.343 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 t -67.71 105.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.82 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.403 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 60.6 mm-40 -39.43 -36.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.571 HG11 ' CE1' ' A' ' 21' ' ' HIS . 21.2 t -54.54 138.88 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 22' ' ' CYS . 68.0 mm-40 -86.42 -73.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.571 ' CE1' HG11 ' A' ' 19' ' ' VAL . 31.6 p80 -35.35 -30.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 20' ' ' GLN . 52.3 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 40' ' ' CYS . 29.2 p90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -112.57 141.54 25.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 118.88 5.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -132.31 97.56 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 31' ' ' VAL . 9.8 p -55.09 108.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.7 t -52.64 140.98 21.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -91.25 40.9 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.22 -54.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.8 p -117.51 21.77 12.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.9 t 48.32 35.78 6.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.522 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -105.11 120.38 6.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.9 mt -74.64 99.26 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.359 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.522 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.7 m-30 -110.35 164.34 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.482 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 17.3 p -61.71 175.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 41' ' ' LEU . 10.0 tt -68.17 -21.55 64.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -81.39 -33.56 32.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 44' ' ' ARG . 12.5 m170 -99.32 -16.03 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' CYS . 16.9 ptt85 -36.52 -39.97 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.06 145.0 54.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 32.3 mttp -66.88 -53.11 35.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -46.91 -51.03 17.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -43.67 -61.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 31.1 p-80 -92.52 31.33 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 30.25 48.12 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 50' ' ' GLY . 9.5 t -35.33 141.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.327 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.5 p -70.8 -28.49 64.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.9 p80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.857 0.36 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.532 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 15.0 t -75.39 98.84 3.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 24.4 mm-40 -34.93 -34.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 17' ' ' CYS . 42.6 t -55.36 151.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' CYS . 59.0 mt-30 -98.52 -69.35 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -37.29 -28.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' GLN . 15.1 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 17' ' ' CYS . 5.9 p90 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.868 0.365 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.95 128.47 49.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 114.69 3.79 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.246 . . . . 0.0 112.378 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -126.82 92.47 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 31' ' ' VAL . 2.7 p -51.56 112.05 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.2 t -57.04 130.2 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.95 41.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.68 -58.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.54 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.3 p -114.34 19.55 16.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.792 0.33 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 95.9 p 51.43 34.73 12.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.577 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -103.93 121.33 7.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.4 mt -74.46 99.14 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.121 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.577 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.4 m-30 -112.58 163.23 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' HIS . 25.6 p -64.86 151.06 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 41' ' ' LEU . 6.9 tt -43.93 -31.79 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -73.02 -35.0 66.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' CYS . 42.4 m170 -107.39 21.14 17.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -74.75 -33.4 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 m -67.57 146.85 53.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 40.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -131.97 -44.29 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -61.29 -38.82 88.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 51' ' ' CYS . 18.4 p-80 -104.95 28.88 6.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 33.63 53.09 0.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 17.3 t -45.77 135.12 7.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.361 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.4 p -68.73 -28.84 67.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.79 0.329 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -68.92 111.62 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.519 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 9.5 mm100 -41.36 -36.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 20' ' ' GLN . 48.8 t -53.84 154.04 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.428 ' N ' HG12 ' A' ' 19' ' ' VAL . 65.1 tp60 -100.37 -70.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -41.13 -28.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 18.0 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 p90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.901 0.381 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -88.39 128.29 53.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 120.81 7.53 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -131.95 101.54 5.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 31' ' ' VAL . 10.4 p -60.36 114.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.7 t -60.18 131.94 52.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -82.6 41.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.07 -65.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.1 p -104.15 17.84 23.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 m 50.61 41.62 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -112.52 124.14 6.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.1 mt -77.44 99.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.361 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.3 m-30 -110.94 165.49 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 p -64.36 153.3 38.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 tt -43.38 -40.06 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.14 -37.89 84.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 43.5 m170 -101.96 18.39 20.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -71.92 -34.66 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.8 t -75.41 141.94 43.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 25.3 mttt -57.67 -61.82 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -40.88 -50.02 3.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.2 m -43.86 -50.74 7.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 29.0 p-80 -105.81 31.22 5.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.813 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 33.52 43.29 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.455 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 50' ' ' GLY . 19.5 t -31.1 135.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 t -58.47 -31.25 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 6.9 t -76.59 100.31 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.481 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 23.3 mm-40 -33.89 -36.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' CYS . 21.4 t -56.82 151.29 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' CYS . 10.4 tp-100 -98.39 -72.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' GLN . 17.4 p80 -35.63 -31.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.0 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.493 ' CE2' ' HB3' ' A' ' 40' ' ' CYS . 3.7 p90 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.856 0.36 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -88.09 130.17 47.25 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.602 0.715 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 123.59 10.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -132.28 91.92 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.577 ' O ' HG13 ' A' ' 31' ' ' VAL . 13.7 p -53.01 114.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.2 t -58.3 141.74 50.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.44 44.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.83 -63.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.53 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.0 p -104.4 17.41 24.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 t 49.3 37.97 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.543 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -107.45 122.42 6.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.5 mt -74.71 97.52 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.543 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.9 m-30 -108.41 166.51 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.493 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 30.0 p -68.7 161.88 27.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tt -52.04 -29.52 21.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -73.59 -36.08 65.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -107.93 19.01 20.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -69.24 -34.72 75.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.0 134.3 36.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.584 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 22.4 mttp -50.47 -54.57 21.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -42.96 -51.9 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 m -44.43 -57.59 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.584 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 27.0 p-80 -97.82 29.09 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 33.63 49.01 0.52 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 50' ' ' GLY . 7.7 t -32.93 135.96 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.7 p -64.68 -30.04 71.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.882 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.839 0.352 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.4 t -60.39 108.67 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.406 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 45.3 mm-40 -40.6 -37.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.5 t -46.23 149.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -102.88 -46.35 4.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.505 ' C ' ' ND1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -75.6 7.81 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 4.4 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.415 ' CG ' ' HB3' ' A' ' 40' ' ' CYS . 15.5 p90 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.933 0.397 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mt -89.38 119.39 69.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.629 0.728 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 127.26 14.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.397 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -143.31 116.08 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 31' ' ' VAL . 1.6 p -69.09 108.09 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.9 t -55.78 123.62 14.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -79.25 43.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.57 -59.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.549 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.7 p -110.03 14.31 23.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t 54.91 38.2 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.525 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -110.66 121.75 5.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.0 mp -75.01 97.98 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.525 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.9 m-30 -108.97 164.83 12.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.415 ' HB3' ' CG ' ' A' ' 27' ' ' PHE . 20.3 p -64.15 -178.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.83 -47.34 78.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -64.3 -32.86 74.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 50.9 m170 -105.54 17.8 23.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -71.85 -38.76 70.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.3 p -68.67 170.63 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.405 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 29.4 mttp -103.05 40.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.17 -40.84 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.4 m -64.53 -40.51 95.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.438 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 24.1 p-80 -100.12 26.39 6.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 34.53 52.33 0.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 t -41.69 133.8 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.8 m -74.83 -27.83 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.7 t -80.12 105.39 11.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.504 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 40.9 mt-30 -39.7 -37.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.529 HG11 ' CE1' ' A' ' 21' ' ' HIS . 40.2 t -53.07 150.72 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 22' ' ' CYS . 29.4 tt0 -96.68 -69.99 0.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.529 ' CE1' HG11 ' A' ' 19' ' ' VAL . 17.4 p80 -36.47 -29.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 20' ' ' GLN . 10.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.587 ' CD2' ' HA ' ' A' ' 40' ' ' CYS . 51.4 p90 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.0 mt -98.64 128.04 33.93 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.612 0.72 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 117.63 5.21 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.324 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -122.93 94.24 4.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 31' ' ' VAL . 5.0 p -46.28 114.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.6 t -63.65 127.29 30.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.55 43.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.92 -53.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.444 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.0 p -119.32 10.26 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m 60.87 35.26 19.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.491 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -105.37 126.76 8.75 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mt -77.98 100.62 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.898 0.38 . . . . 0.0 111.14 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.504 ' CE1' ' HB2' ' A' ' 18' ' ' GLN . 1.6 m-30 -112.36 177.25 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.587 ' HA ' ' CD2' ' A' ' 27' ' ' PHE . 24.1 p -77.47 -177.87 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 tp -66.48 -46.78 75.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.974 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -64.96 -29.62 70.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -110.81 16.21 21.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 40' ' ' CYS . 4.7 ptm180 -68.34 -34.4 76.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.9 p -71.67 178.27 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -91.4 -61.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -42.74 -46.89 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -45.02 -40.28 6.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 33.6 p-80 -118.46 33.22 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 35.02 41.24 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 16.7 t -34.48 147.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.7 m -72.64 -17.71 61.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.0 t -73.62 104.92 4.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.483 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 23.4 mm100 -37.92 -37.36 0.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.429 HG11 ' CE1' ' A' ' 21' ' ' HIS . 42.3 t -55.86 129.66 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 22' ' ' CYS . 18.4 mt-30 -79.42 -68.5 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.429 ' CE1' HG11 ' A' ' 19' ' ' VAL . 29.2 p80 -42.01 -24.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 1.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.0 p90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.1 mt -102.75 125.75 34.76 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.68 9.37 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.36 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -133.07 101.63 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 p -53.87 116.7 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.8 t -64.54 140.6 58.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -89.09 38.92 0.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.1 -58.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.436 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.8 p -112.77 21.82 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 m 46.23 42.47 10.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -110.72 122.5 6.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.514 HD12 ' H ' ' A' ' 38' ' ' ILE . 5.1 mp -74.84 97.37 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.7 m-30 -108.47 169.06 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' HIS . 27.9 p -73.84 150.86 40.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 41' ' ' LEU . 10.4 tt -43.12 -30.74 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.46 -37.69 68.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 33.7 m170 -107.17 18.96 21.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -68.56 -32.13 71.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.812 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.4 t -71.78 147.07 47.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.58 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 44.1 mttt -67.54 -55.21 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -46.7 -49.4 19.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -44.82 -50.84 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.58 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 25.3 p-80 -104.68 26.55 8.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.81 48.23 0.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.482 ' C ' ' O ' ' A' ' 50' ' ' GLY . 19.1 t -31.26 138.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 t -61.1 -21.91 64.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.825 0.345 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.0 t -70.28 104.02 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.437 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 17.0 mm100 -41.93 -35.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.428 HG11 ' CE1' ' A' ' 21' ' ' HIS . 49.1 t -55.12 143.18 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 22' ' ' CYS . 15.6 mm100 -92.62 -73.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.7 p-80 -34.77 -32.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' GLN . 37.0 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.1 p90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.2 mt -94.87 131.91 29.44 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.651 0.738 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 129.6 17.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -139.92 108.82 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 31' ' ' VAL . 2.2 p -67.41 105.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.5 t -54.72 124.48 16.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.434 ' C ' ' HE2' ' A' ' 46' ' ' LYS . 1.4 m-20 -81.02 39.69 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.93 -59.5 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.0 p -110.23 12.21 23.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 t 58.23 38.72 26.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.539 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -113.2 123.83 6.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.5 mp -76.0 98.37 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.539 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.6 m-30 -110.16 163.27 13.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.7 p -64.92 156.55 30.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.454 HD23 ' C ' ' A' ' 41' ' ' LEU . 9.0 tt -48.73 -32.48 8.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -32.93 63.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -109.2 21.5 17.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -76.47 -30.67 57.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.5 p -70.17 153.09 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HE2' ' C ' ' A' ' 33' ' ' ASP . 52.5 mttt -87.91 37.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -130.08 -38.76 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.8 p -64.32 -39.99 95.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' GLY . 30.5 p-80 -105.91 27.12 8.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.58 48.42 0.67 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLY . 6.1 t -34.09 131.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.9 m -64.59 -27.75 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 t -68.32 112.43 5.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.412 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 20.9 mt-30 -47.84 -35.6 10.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 t -50.25 153.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -96.62 -74.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -37.93 -33.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.901 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.431 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 15.6 p90 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -108.28 130.06 23.26 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.601 0.715 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 123.82 10.5 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.664 2.242 . . . . 0.0 112.406 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -137.99 117.04 12.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 31' ' ' VAL . 1.6 p -67.83 115.75 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.7 t -66.1 122.84 18.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -77.86 45.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -147.89 -53.14 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.7 p -117.05 9.04 13.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.0 t 60.12 39.2 19.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -112.04 123.58 6.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.532 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.08 96.91 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.6 m-30 -108.11 168.26 9.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 43' ' ' HIS . 25.1 p -72.55 149.57 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.402 ' C ' HD23 ' A' ' 41' ' ' LEU . 8.2 tt -40.51 -36.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -69.63 -38.03 77.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 40' ' ' CYS . 45.9 m170 -102.7 19.73 18.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -70.93 -37.7 72.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.7 t -61.79 165.19 5.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -98.34 21.35 11.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -111.35 -39.36 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.9 m -60.47 -47.34 86.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' GLY . 33.1 p-80 -101.19 22.92 11.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 35.97 52.94 1.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 50' ' ' GLY . 4.7 t -34.4 128.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.347 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 m -71.57 -18.19 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.927 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.815 0.34 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.5 t -74.24 103.87 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.448 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 34.4 mm-40 -41.24 -37.35 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.555 HG11 ' CE1' ' A' ' 21' ' ' HIS . 11.6 t -54.16 145.01 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' HIS . 10.0 mm100 -94.02 -67.3 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.555 ' CE1' HG11 ' A' ' 19' ' ' VAL . 12.3 p80 -38.11 -33.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.441 ' N ' ' ND1' ' A' ' 21' ' ' HIS . 39.8 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.1 p90 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.4 mt -99.3 124.95 43.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 126.01 12.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -138.71 110.21 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.409 HG12 ' H ' ' A' ' 31' ' ' VAL . 2.3 p -65.4 109.92 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.7 t -58.7 126.53 28.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -80.88 41.74 0.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.1 -57.41 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.449 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.2 p -113.51 12.7 18.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.326 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.0 m 58.1 36.96 26.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -110.14 122.23 6.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.446 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.67 98.01 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.4 m-30 -109.79 163.98 13.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 43' ' ' HIS . 27.5 p -68.03 152.53 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.465 HD23 ' C ' ' A' ' 41' ' ' LEU . 9.5 tt -43.48 -35.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -69.73 -36.57 75.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.432 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 33.3 m170 -106.17 21.08 17.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.2 ptt-85 -74.44 -30.34 61.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 m -68.72 150.91 47.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 40.1 mttt -86.23 35.26 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.34 -40.14 1.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.2 p -62.44 -40.77 97.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' GLY . 34.2 p-80 -102.32 23.71 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 37.53 51.25 1.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.3 t -40.44 126.18 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -64.81 -19.56 65.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.425 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 1.6 p-80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 t -73.59 103.18 4.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -45.71 -33.26 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.34 150.45 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' CYS . 21.0 tt0 -99.37 -72.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.2 p-80 -37.03 -29.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 20' ' ' GLN . 44.3 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 5.1 p90 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 70.9 mt -87.65 134.65 35.31 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.564 0.697 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.34 9.02 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 32.0 m-85 -140.55 109.85 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.479 ' N ' HD13 ' A' ' 38' ' ' ILE . 2.1 p -73.23 110.45 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.3 t -45.74 139.22 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -84.29 35.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.74 -59.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 p -108.88 23.79 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.9 p 40.05 49.03 2.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.611 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -114.34 119.04 4.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.479 HD13 ' N ' ' A' ' 31' ' ' VAL . 6.3 mm -65.96 94.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 111.18 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.611 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 2.5 m-30 -107.06 164.32 12.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 44' ' ' ARG . 25.3 p -71.52 162.17 29.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 tp -45.02 -50.07 10.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -60.33 -40.68 91.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -97.22 16.08 20.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 40' ' ' CYS . 14.0 ptt180 -66.84 -34.05 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -71.13 176.96 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.549 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 52.0 mttt -92.01 -64.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -42.49 -41.74 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -45.09 -47.85 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.549 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 44.1 p-80 -107.3 31.06 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 40.12 39.59 1.57 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.463 ' C ' ' O ' ' A' ' 50' ' ' GLY . 17.0 t -33.47 136.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.8 m -78.48 -28.12 46.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.0 p80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.6 t -61.23 99.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 5.7 mm100 -37.94 -35.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 22' ' ' CYS . 36.5 t -53.47 138.74 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -90.27 -64.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -41.89 -32.27 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.418 ' H ' HG12 ' A' ' 19' ' ' VAL . 43.0 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 6.9 p90 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.2 mt -97.14 138.41 21.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 118.75 5.87 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.639 2.226 . . . . 0.0 112.323 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -132.39 99.5 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 p -58.73 122.11 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.5 t -66.33 142.73 57.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.18 40.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.408 ' HA3' ' SG ' ' A' ' 51' ' ' CYS . . . -145.37 -42.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.6 p -129.83 19.62 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.8 m 47.74 45.51 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.559 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -115.71 124.21 6.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.85 102.08 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.3 m-30 -115.42 163.05 16.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.9 p -57.22 -178.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 tp -65.9 -48.28 71.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.87 -38.04 86.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -100.43 18.69 18.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -72.74 -40.49 66.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 m -93.64 161.57 14.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -69.73 -172.83 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t0 61.67 24.98 14.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 t -134.98 -33.71 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -121.88 15.61 10.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.57 39.03 96.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.408 ' SG ' ' HA3' ' A' ' 34' ' ' GLY . 8.3 t -43.11 126.99 4.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -61.27 -35.4 77.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 p -117.14 105.72 12.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -99.18 -44.2 6.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.37 151.89 28.46 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.457 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -157.66 165.67 34.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 m -160.77 176.62 11.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.14 -154.28 7.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 40.4 mmm -141.25 161.63 37.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.51 86.6 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -122.79 98.52 5.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -158.18 130.48 7.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -76.13 122.6 24.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 mt -65.52 -38.01 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.03 116.9 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.655 ' HG3' HD13 ' A' ' 38' ' ' ILE . 37.9 mm-40 -119.63 155.14 32.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -134.34 165.36 25.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.6 t -76.65 110.04 10.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -43.77 -38.27 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.521 HG11 ' CE1' ' A' ' 21' ' ' HIS . 21.8 t -50.79 138.51 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 22' ' ' CYS . 8.8 mt-30 -86.25 -75.07 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.521 ' CE1' HG11 ' A' ' 19' ' ' VAL . 5.7 p-80 -35.28 -32.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 20' ' ' GLN . 32.4 t -50.25 -71.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 58.9 42.04 20.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.424 ' CG ' ' SG ' ' A' ' 22' ' ' CYS . 9.6 mm100 -82.23 178.1 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -167.68 136.49 2.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.0 t0 71.49 41.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -109.95 170.57 7.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 mt -85.1 134.06 41.74 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.654 0.74 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.71 11.35 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.471 ' CG ' ' NH1' ' A' ' 44' ' ' ARG . 39.4 m-85 -141.66 111.71 6.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 p -73.63 123.48 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.8 t -65.48 129.86 41.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -79.47 43.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.63 -69.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.8 p -98.48 12.96 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m 53.12 43.91 31.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.496 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -112.59 126.2 7.43 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.655 HD13 ' HG3' ' A' ' 15' ' ' GLN . 20.9 mt -75.55 101.34 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.115 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.496 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.7 m-30 -112.2 165.71 11.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 p -66.28 178.85 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 tt -66.44 -36.66 83.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.42 -25.19 61.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -114.97 17.34 16.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.471 ' NH1' ' CG ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -68.24 -37.6 80.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.02 161.73 30.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -72.59 -59.79 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -49.83 -39.25 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.9 m -47.09 -34.81 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 51' ' ' CYS . 39.1 p-80 -125.19 25.32 7.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 40.98 44.04 3.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.522 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 26.8 t -33.1 139.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t -65.94 -27.16 67.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 51.38 48.35 23.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 p -100.12 -19.67 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -66.06 -42.63 89.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.7 m -94.01 96.05 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -46.73 139.05 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 59' ' ' GLU . 33.0 mttt -45.07 161.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -37.17 107.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -129.36 150.94 76.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.604 0.716 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 124.68 11.3 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.0 -179.66 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -84.87 162.42 19.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.75 106.2 1.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.799 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -112.24 172.95 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -121.07 157.26 30.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -148.4 175.34 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.9 p -150.59 128.99 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -162.49 155.82 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -163.48 161.11 23.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.5 158.13 28.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -49.49 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 t -174.99 178.13 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.0 m -132.36 161.91 32.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.17 -0.794 . . . . 0.0 112.456 -179.979 . . . . . . . . 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 -0.276 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 m -140.93 158.77 43.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -117.87 118.29 31.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.31 -131.33 3.87 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -125.73 103.63 7.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.897 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -160.0 146.24 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.2 117.21 4.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -89.9 88.18 7.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.78 154.53 20.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.79 137.22 43.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.1 mt -124.93 -43.67 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 44.44 42.76 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.9 pt -92.46 -30.42 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 139.94 92.58 0.23 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -117.21 176.88 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -156.75 -179.93 8.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -80.17 106.49 12.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 79.0 mm-40 -38.78 -39.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.454 HG11 ' CE1' ' A' ' 21' ' ' HIS . 27.9 t -52.62 136.88 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -88.52 -55.14 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.454 ' CE1' HG11 ' A' ' 19' ' ' VAL . 13.8 p80 -52.0 -17.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.0 t -75.7 126.22 30.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -111.05 41.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -100.17 113.37 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -95.19 -43.37 8.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -103.62 81.74 1.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -131.97 177.85 7.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.1 mt -101.04 129.2 27.7 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 118.82 5.91 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -132.99 99.78 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 31' ' ' VAL . 3.3 p -54.93 110.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.1 t -53.86 137.91 37.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -85.8 42.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.49 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -149.05 -57.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.5 p -113.38 18.24 17.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 t 49.69 38.58 15.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.581 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -106.76 120.14 6.15 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 83.6 mt -71.82 99.8 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.581 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.6 m-30 -112.1 162.94 14.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 43' ' ' HIS . 26.0 p -65.51 147.79 52.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tp -36.07 -49.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.78 -41.38 86.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 40' ' ' CYS . 34.2 m170 -96.32 16.73 17.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -66.35 -34.37 77.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 t -64.95 165.49 10.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.599 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 10.8 mttp -89.19 -60.5 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -43.33 -46.53 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.4 m -42.41 -52.7 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.599 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 34.1 p-80 -101.82 36.48 2.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 33.44 43.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLY . 13.6 t -35.6 137.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.8 m -67.74 -34.1 76.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 58.17 46.74 15.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -89.03 -32.9 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 34' ' ' GLY . 19.4 m-20 -66.63 -60.31 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.617 ' O ' HG23 ' A' ' 56' ' ' VAL . 25.2 m -69.21 93.6 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.9 t -74.1 133.63 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -38.21 109.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -62.97 113.73 3.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -54.34 161.87 1.84 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.713 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 88.74 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.99 43.64 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 t -88.21 133.43 34.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -127.49 82.28 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -160.65 151.73 18.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -85.73 42.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -141.49 124.52 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 86.8 p -167.18 165.44 15.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -94.1 -47.41 6.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.4 t -63.43 150.81 42.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.62 -146.76 17.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -27.11 26.84 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.322 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.3 t 69.31 42.0 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.9 t 60.84 42.87 12.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.495 -179.955 . . . . . . . . 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 1.452 -0.289 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -164.11 171.58 14.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -124.04 171.56 9.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.25 -161.67 8.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -106.84 152.47 23.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.369 . . . . 0.0 110.906 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 p -144.26 136.51 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.43 131.28 5.13 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -38.08 -43.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 55.35 34.58 23.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -147.72 146.77 29.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.9 mt -137.2 114.04 10.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -72.22 111.4 7.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 mm -103.95 117.28 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.66 -125.66 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.662 ' NE2' HG21 ' A' ' 38' ' ' ILE . 11.7 tt0 -142.77 138.53 30.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 16' ' ' HIS . 0.3 OUTLIER -167.73 -175.16 2.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.5 t -70.29 95.64 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.435 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 22.2 mm-40 -39.76 -35.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.622 HG11 ' CE1' ' A' ' 21' ' ' HIS . 24.1 t -51.8 145.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -104.35 -33.96 8.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.622 ' CE1' HG11 ' A' ' 19' ' ' VAL . 4.5 p80 -72.0 -11.13 60.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.431 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 50.7 t -81.6 132.09 35.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -110.52 43.57 1.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -90.83 134.0 34.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -104.0 -63.74 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -106.19 86.59 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.421 ' CD1' ' HA ' ' A' ' 40' ' ' CYS . 48.6 p90 -119.51 177.35 4.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt -99.69 133.82 21.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.492 ' HB3' ' NE2' ' A' ' 15' ' ' GLN . 53.7 Cg_endo -69.78 117.04 4.85 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -131.82 93.32 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' ' 31' ' ' VAL . 7.3 p -52.9 111.78 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.4 t -54.98 133.65 48.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -83.03 37.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.32 -65.8 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.0 p -106.01 21.02 18.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.362 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.4 p 49.57 33.42 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.558 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -99.22 121.54 7.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.662 HG21 ' NE2' ' A' ' 15' ' ' GLN . 4.7 mp -74.6 98.41 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 111.131 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.5 m-30 -111.35 165.54 11.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.421 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 31.2 p -65.55 -176.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 tp -68.68 -44.63 73.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -66.26 -23.87 66.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 32.8 m170 -116.39 17.46 15.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -69.88 -29.74 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -76.5 174.59 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 18.7 mttp -87.57 -61.03 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -44.28 -42.06 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.1 p -46.59 -42.89 16.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 46.8 p-80 -115.27 27.13 9.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 39.32 42.75 1.86 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.531 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 50' ' ' GLY . 8.7 t -33.93 143.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.371 . . . . 0.0 110.839 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 m -81.77 -25.49 35.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 51.88 51.28 16.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 p -98.37 -23.13 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -64.69 -46.28 83.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -105.9 103.65 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.4 t -88.88 144.77 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -40.13 154.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -39.8 152.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 6.5 mpt_? 60.64 52.91 3.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 60' ' ' ARG . 54.0 Cg_endo -69.75 -2.62 10.49 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.343 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -75.87 136.13 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 64' ' ' ASP . 59.7 m -85.24 113.31 21.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -34.16 143.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 51.53 50.0 19.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -80.83 121.78 26.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -111.51 106.87 15.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 t -135.26 142.64 45.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -86.01 157.4 20.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.6 t -154.29 155.07 34.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.54 151.5 6.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -48.48 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.7 t 52.47 43.81 30.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.6 m -123.8 157.8 33.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.545 -179.958 . . . . . . . . 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 1.452 -0.282 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 t -171.15 153.9 3.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -145.35 166.54 25.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.6 111.19 0.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -61.68 167.94 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.819 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -140.43 163.86 31.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.45 156.67 16.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 mmt -135.38 118.06 16.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 110.821 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.03 132.11 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -147.27 124.05 11.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 mt -151.25 131.69 13.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -108.87 166.84 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 pt -108.4 121.11 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.87 80.62 0.34 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.879 ' HG2' HD13 ' A' ' 38' ' ' ILE . 2.2 tp60 -54.1 159.39 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -104.99 177.14 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 t -79.73 110.65 15.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -47.73 -37.18 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.489 HG11 ' CE1' ' A' ' 21' ' ' HIS . 25.2 t -55.82 134.57 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' CYS . 11.3 mm-40 -86.07 -68.53 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.489 ' CE1' HG11 ' A' ' 19' ' ' VAL . 28.1 p80 -38.06 -29.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' GLN . 9.3 t -55.86 125.15 20.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -116.74 39.7 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -83.84 150.4 25.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.7 134.88 30.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 71.66 43.97 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -101.83 170.68 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mp -102.11 140.8 21.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.576 0.703 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 122.55 9.22 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -134.88 95.07 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 31' ' ' VAL . 8.2 p -54.65 111.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.7 t -59.93 127.78 33.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -82.99 36.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.19 -48.86 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.532 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.8 p -124.67 15.25 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t 54.31 48.66 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.568 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -123.43 121.05 4.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.879 HD13 ' HG2' ' A' ' 15' ' ' GLN . 5.3 mp -70.61 95.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 2.3 m-30 -107.48 163.99 12.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.5 p -72.85 154.76 40.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 tt -45.19 -32.02 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.05 -38.25 66.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 32.7 m170 -104.83 21.42 16.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 -75.07 -36.45 61.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -61.22 158.05 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -92.59 39.68 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.26 -40.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.9 p -60.28 -29.32 68.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.486 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 27.3 p-80 -120.46 30.8 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 33.16 52.37 0.53 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.447 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.5 t -45.43 133.77 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -68.86 -28.08 66.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 55.26 46.09 24.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -89.54 -35.35 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -58.11 -42.71 86.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 56' ' ' VAL . 4.6 p -116.14 107.21 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.3 t -101.83 141.19 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -65.71 110.97 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -37.79 139.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -77.85 136.23 62.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.83 55.34 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.718 2.279 . . . . 0.0 112.324 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -86.54 150.81 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.7 p -140.3 134.86 31.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.173 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -85.12 126.59 33.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -69.67 157.29 37.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -40.03 154.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -94.26 176.68 6.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.475 ' O ' ' C ' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -51.08 161.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.516 ' CE1' ' O ' ' A' ' 70' ' ' SER . 6.2 t80 -32.28 132.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.516 ' O ' ' CE1' ' A' ' 69' ' ' TYR . 8.4 t -119.32 176.09 5.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.95 129.08 45.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 166.05 28.88 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.742 2.295 . . . . 0.0 112.362 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 m -93.79 175.92 6.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.7 p -120.97 134.37 55.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.507 179.94 . . . . . . . . 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 1.451 -0.323 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -169.57 146.69 3.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.821 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 p -145.63 172.87 12.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.99 127.79 0.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -142.55 148.42 37.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -145.17 163.06 35.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.75 -168.76 18.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.3 mtp 63.38 42.13 7.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.536 ' O ' HD12 ' A' ' 11' ' ' LEU . . . -63.62 -15.82 59.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 64.13 31.75 13.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 9' ' ' ALA . 3.7 mp -142.85 113.42 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.78 81.36 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.7 mt -109.12 112.06 38.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.32 -126.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.609 ' HG2' HG21 ' A' ' 38' ' ' ILE . 71.3 tp60 -75.87 136.4 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.35 . . . . 0.0 110.927 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -134.36 159.34 41.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.486 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 17.4 t -71.2 108.22 4.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.517 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 23.4 mm-40 -41.89 -33.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.518 HG11 ' CE1' ' A' ' 21' ' ' HIS . 18.2 t -60.48 128.14 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 22' ' ' CYS . 4.1 tp60 -78.03 -74.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.518 ' CE1' HG11 ' A' ' 19' ' ' VAL . 4.6 p-80 -33.06 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' GLN . 21.2 t -46.97 125.66 7.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' O ' ' CD ' ' A' ' 23' ' ' ARG . 1.5 ppt_? -104.29 34.66 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -105.13 136.16 45.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -122.06 -46.7 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -98.05 84.86 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 17' ' ' CYS . 5.1 p90 -135.86 179.08 6.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -99.86 140.86 21.86 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.635 0.731 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 117.83 5.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -131.84 95.47 3.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 31' ' ' VAL . 8.3 p -55.38 114.58 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.5 t -58.54 133.85 56.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -82.35 36.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.413 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -142.48 -69.0 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.516 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.6 p -98.6 9.45 43.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 m 59.77 31.06 20.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.571 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -99.76 124.95 8.4 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.609 HG21 ' HG2' ' A' ' 15' ' ' GLN . 53.6 mt -76.75 97.71 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.893 0.378 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.571 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.5 m-30 -109.81 169.31 8.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 27' ' ' PHE . 18.5 p -66.58 -178.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.36 -46.49 79.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.47 -33.66 76.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -105.21 15.92 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 -67.36 -40.53 85.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -70.93 158.1 37.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.608 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 3.3 mtmp? -74.62 -59.45 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -47.43 -38.85 14.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.1 m -51.45 -49.16 62.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.608 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 34.4 p-80 -104.06 27.4 7.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 38.5 43.57 1.57 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.463 ' CB ' ' HG2' ' A' ' 46' ' ' LYS . 11.1 t -33.45 145.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -69.38 -20.35 63.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 47.61 46.31 17.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.51 -18.1 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 57' ' ' VAL . 76.0 m-20 -76.03 -48.7 19.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' ' 56' ' ' VAL . 29.4 m -63.61 73.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' ASN . 90.9 t -136.75 132.97 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -108.06 124.02 49.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -109.16 141.91 40.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -42.42 119.51 2.35 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.574 0.702 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 142.39 47.83 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.691 2.26 . . . . 0.0 112.34 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -93.92 133.81 36.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -141.36 153.37 45.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.76 111.9 1.62 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -42.29 136.72 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -135.73 156.28 49.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -105.99 170.92 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -141.89 148.98 39.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -104.97 177.7 4.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 t -133.79 172.43 12.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.09 157.73 20.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -177.19 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.256 . . . . 0.0 112.346 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -140.74 176.01 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -134.13 151.41 51.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.457 -179.969 . . . . . . . . 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 -0.316 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -92.97 110.33 21.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -157.65 107.89 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.59 -178.5 23.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.443 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -122.83 99.09 6.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.362 . . . . 0.0 110.876 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -88.97 99.62 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.66 121.98 5.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.6 mmm -98.37 -51.5 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' C ' ' OE1' ' A' ' 10' ' ' GLU . . . -83.52 145.9 28.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' OE1' ' C ' ' A' ' 9' ' ' ALA . 10.5 mp0 -143.13 130.7 21.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -163.13 131.53 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -112.44 152.46 28.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mt -68.67 105.9 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.83 54.7 0.61 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.86 155.66 25.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -145.98 151.99 38.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -79.77 103.73 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 18.2 mm-40 -39.07 -38.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 20' ' ' GLN . 40.4 t -50.63 153.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 22' ' ' CYS . 89.8 mm-40 -100.39 -74.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.6 p-80 -35.2 -31.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 20' ' ' GLN . 54.1 t -55.46 134.48 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -126.87 40.92 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -83.82 117.76 23.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -81.75 -63.77 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -105.04 89.03 3.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -123.9 176.5 6.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.1 mt -107.33 132.43 20.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.576 0.703 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 122.54 9.21 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -134.25 104.06 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.585 ' O ' HG13 ' A' ' 31' ' ' VAL . 8.0 p -57.98 110.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.7 t -57.81 129.14 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -80.23 41.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.72 -61.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -110.25 14.44 22.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 t 56.4 39.0 30.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.572 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -108.77 120.63 5.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.502 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.93 102.88 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.824 0.345 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.2 m-30 -114.71 164.04 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.4 p -63.11 178.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.85 -48.85 77.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -61.15 -34.0 74.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.405 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 45.4 m170 -105.08 17.4 24.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -68.62 -37.03 79.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.0 t -72.34 163.45 27.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.583 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 14.8 mttp -80.16 -60.09 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -41.71 -39.86 1.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.5 t -52.66 -45.82 66.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 31.9 p-80 -109.91 32.81 4.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.4 42.86 0.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.518 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 19.8 t -33.86 141.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.1 m -73.02 -20.99 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 56.9 48.52 15.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.89 -50.45 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -77.06 -40.73 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.409 HG22 ' H ' ' A' ' 56' ' ' VAL . 6.5 m -86.62 74.41 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.5 t -76.8 144.88 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -75.97 51.36 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -118.86 81.67 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -103.57 146.55 32.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 62' ' ' LYS . 54.2 Cg_endo -69.74 -173.76 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 61' ' ' PRO . 28.3 mtmm -36.71 142.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.3 p -46.13 120.82 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' GLU . 2.2 t70 -105.9 175.77 5.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' ASP . 1.7 tm-20 -37.23 124.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -128.05 174.17 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -56.53 155.04 7.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -73.9 169.13 18.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -44.79 109.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 t -95.77 169.4 10.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.8 110.02 2.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 168.79 20.5 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.1 m -76.19 153.52 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 m -122.05 167.24 13.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.534 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -128.12 176.92 7.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.832 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -149.69 144.26 25.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.39 -136.76 2.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -152.87 176.14 12.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.838 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 m -133.22 145.95 51.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.18 -155.88 11.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.9 mtt -157.39 153.72 27.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.78 146.75 30.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -111.02 87.03 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.4 mt -123.25 42.53 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -133.61 138.27 45.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 pt -92.28 -24.8 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.75 83.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.565 ' HG2' HD12 ' A' ' 38' ' ' ILE . 8.0 tp-100 -57.81 157.96 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 110.949 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -145.01 179.58 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 7.5 t -67.66 104.72 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 10.7 mm100 -44.98 -34.28 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.469 HG12 ' H ' ' A' ' 22' ' ' CYS . 60.3 t -50.95 144.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' CYS . 2.9 mp0 -93.7 -72.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.401 ' CE1' HG11 ' A' ' 19' ' ' VAL . 4.7 p-80 -38.29 -29.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.469 ' H ' HG12 ' A' ' 19' ' ' VAL . 53.7 t -54.82 150.72 9.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -133.47 39.54 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -112.29 133.3 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -121.76 -62.95 1.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -77.3 47.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 17' ' ' CYS . 17.5 p90 -102.16 -179.51 4.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 mt -92.43 125.56 55.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 117.91 5.36 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -129.41 106.18 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 31' ' ' VAL . 2.2 p -62.96 108.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.8 t -56.55 126.34 26.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.437 ' C ' ' HE2' ' A' ' 46' ' ' LYS . 83.2 m-20 -81.43 40.22 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -141.17 -59.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -111.1 16.67 20.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 m 53.59 40.89 32.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.557 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -114.79 122.04 5.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.498 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.565 HD12 ' HG2' ' A' ' 15' ' ' GLN . 37.9 mt -76.25 100.25 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 111.142 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.557 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.3 m-30 -111.78 166.29 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.7 p -65.09 174.4 2.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 41' ' ' LEU . 7.2 tt -62.28 -39.11 91.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -69.59 -32.53 71.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -107.99 21.29 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -78.13 -34.17 50.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.0 t -73.32 151.87 41.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' HE2' ' C ' ' A' ' 33' ' ' ASP . 34.7 mttt -83.19 40.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -131.27 -38.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.9 m -67.43 -41.31 84.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.486 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 22.9 p-80 -103.4 28.16 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 32.78 47.57 0.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.46 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 50' ' ' GLY . 12.0 t -33.59 139.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.4 m -75.81 -16.61 60.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 52.75 49.96 19.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 58' ' ' LYS . 61.2 t -74.51 -31.16 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -83.74 -28.95 27.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.464 ' O ' ' C ' ' A' ' 57' ' ' VAL . 22.7 t -61.69 94.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 57' ' ' VAL . 14.6 p 32.29 47.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' GLU . 22.4 ttmt -143.86 144.21 31.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.6 mp0 -36.48 112.24 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -117.75 146.28 38.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 172.55 12.41 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.628 2.219 . . . . 0.0 112.359 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -133.97 43.47 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.1 p -83.01 -62.59 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -53.85 -175.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 62.2 47.42 5.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -72.4 -51.16 21.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -63.06 157.98 20.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.0 t -150.12 133.76 16.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.6 t80 66.07 52.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.2 t -122.78 95.52 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.84 119.04 2.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 141.43 45.1 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.9 t -93.96 128.89 40.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.3 p -91.1 177.29 6.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.206 -0.774 . . . . 0.0 112.439 -179.987 . . . . . . . . 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 -0.354 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 m -125.67 169.63 12.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.854 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 p -95.19 152.13 18.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.0 -167.29 17.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -141.06 152.04 44.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.922 0.391 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -142.11 125.56 16.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.26 109.9 2.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.412 ' C ' ' OE2' ' A' ' 10' ' ' GLU . 66.9 mtm -93.22 90.17 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.451 ' N ' ' OE2' ' A' ' 10' ' ' GLU . . . -113.12 79.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 9' ' ' ALA . 1.5 pm0 -167.0 127.42 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mp -111.47 -41.74 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' ILE . 9.7 t70 40.53 41.43 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' ASP . 49.3 mm -33.91 -38.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.73 -129.46 1.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -131.37 177.97 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -96.99 168.53 10.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 9.5 t -78.93 107.72 11.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.438 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 21.9 mm100 -42.85 -37.72 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.7 t -53.49 146.89 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' CYS . 95.4 mt-30 -96.47 -72.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.9 p-80 -37.14 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 20' ' ' GLN . 18.9 t -52.4 122.12 8.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -109.2 43.7 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -93.67 155.76 17.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 -149.23 147.89 28.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.11 46.02 27.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 17' ' ' CYS . 14.1 p90 -102.31 176.72 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 mt -94.6 126.87 45.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 125.78 12.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.731 2.287 . . . . 0.0 112.371 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -132.55 103.27 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 31' ' ' VAL . 7.6 p -55.76 110.48 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.2 t -57.65 134.91 56.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -86.9 37.93 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.9 -50.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.7 p -124.8 18.38 8.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 t 53.14 37.69 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -105.67 121.28 6.73 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.552 ' H ' HD12 ' A' ' 38' ' ' ILE . 4.8 mp -74.19 101.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.579 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.2 m-30 -113.98 171.21 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 20.7 p -69.93 -179.03 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 tp -65.18 -47.26 77.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -62.91 -35.24 79.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.412 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 31.6 m170 -102.53 13.9 33.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -66.03 -37.85 86.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.2 m -66.15 179.65 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.837 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 63.9 mttt -94.6 -67.15 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -41.28 -41.36 1.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.8 m -47.21 -43.8 21.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.514 ' CE1' ' HB2' ' A' ' 51' ' ' CYS . 32.0 p-80 -114.08 34.81 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.11 42.79 0.28 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.514 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 17.9 t -35.04 146.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.35 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.457 ' HB2' HG23 ' A' ' 54' ' ' VAL . 15.6 m -81.46 -15.88 53.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 54.69 50.07 16.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.457 HG23 ' HB2' ' A' ' 52' ' ' SER . 44.4 t -87.73 -49.77 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -52.68 -39.29 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.4 t -76.52 93.62 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -104.33 131.32 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -67.87 136.42 54.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -128.63 51.05 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.04 129.0 1.23 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -7.34 20.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -80.1 172.81 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.0 t -147.46 162.11 39.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -49.12 162.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -153.15 157.32 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -61.78 169.07 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 68' ' ' SER . 0.2 OUTLIER -137.73 146.03 43.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.443 ' N ' ' HD2' ' A' ' 67' ' ' LYS . 15.8 t -65.92 150.03 49.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -73.55 174.46 8.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.2 m -151.59 170.5 19.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.95 115.02 3.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -177.49 1.91 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.673 2.248 . . . . 0.0 112.317 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.4 t -147.3 175.61 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.0 p -163.63 174.37 11.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.166 -0.796 . . . . 0.0 112.494 -179.974 . . . . . . . . 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 1.452 -0.28 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -158.42 145.29 17.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.376 . . . . 0.0 110.874 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -129.24 145.64 51.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.88 63.5 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.453 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m -93.97 101.29 13.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.84 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -99.97 164.07 12.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.12 -173.68 13.66 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.527 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.2 mmm -149.71 141.48 23.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.46 116.15 31.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.078 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -121.6 125.34 46.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.4 mt -109.14 86.81 2.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' ILE . 1.7 m-20 38.18 42.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' ASP . 7.5 pt -36.24 112.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.113 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 132.42 118.62 1.97 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -93.13 138.48 31.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.335 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -131.32 175.51 9.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 t -67.71 105.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.82 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.403 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 60.6 mm-40 -39.43 -36.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.571 HG11 ' CE1' ' A' ' 21' ' ' HIS . 21.2 t -54.54 138.88 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 22' ' ' CYS . 68.0 mm-40 -86.42 -73.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.571 ' CE1' HG11 ' A' ' 19' ' ' VAL . 31.6 p80 -35.35 -30.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 20' ' ' GLN . 52.3 t -61.5 -70.35 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 56.47 41.26 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -83.81 156.99 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -134.85 -50.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -75.52 49.68 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 40' ' ' CYS . 29.2 p90 -127.56 177.44 6.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -112.57 141.54 25.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 118.88 5.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -132.31 97.56 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 31' ' ' VAL . 9.8 p -55.09 108.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.7 t -52.64 140.98 21.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -91.25 40.9 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . -146.22 -54.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.8 p -117.51 21.77 12.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.9 t 48.32 35.78 6.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.522 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -105.11 120.38 6.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.9 mt -74.64 99.26 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.359 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.522 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.7 m-30 -110.35 164.34 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.482 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 17.3 p -61.71 175.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.489 ' O ' HD23 ' A' ' 41' ' ' LEU . 10.0 tt -68.17 -21.55 64.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -81.39 -33.56 32.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 44' ' ' ARG . 12.5 m170 -99.32 -16.03 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' CYS . 16.9 ptt85 -36.52 -39.97 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.06 145.0 54.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 32.3 mttp -66.88 -53.11 35.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -46.91 -51.03 17.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -43.67 -61.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 31.1 p-80 -92.52 31.33 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 30.25 48.12 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 50' ' ' GLY . 9.5 t -35.33 141.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.327 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.5 p -70.8 -28.49 64.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 56.36 46.82 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 55' ' ' ASN . 9.2 p -107.41 -41.35 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 15.4 t-20 -43.08 -57.52 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.62 ' O ' HG23 ' A' ' 56' ' ' VAL . 29.9 m -69.16 84.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 57' ' ' VAL . 12.1 p -99.43 38.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -119.52 111.03 17.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -166.88 147.77 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -150.84 131.9 7.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.561 0.696 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 111.27 2.76 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -77.87 -50.58 11.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.0 t -69.24 157.21 37.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.9 t70 46.15 50.41 11.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -85.02 114.58 22.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -161.61 156.61 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.28 168.18 9.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.7 p -90.05 170.5 10.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -121.32 169.24 10.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.3 p -127.65 172.24 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -155.48 149.0 19.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -174.01 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.659 2.24 . . . . 0.0 112.308 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.0 t -170.01 166.44 9.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.2 165.69 12.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.828 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.494 -179.973 . . . . . . . . 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 -0.324 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 t -164.85 136.45 4.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 p -155.84 168.0 28.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.68 153.59 6.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -149.58 177.76 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -101.67 164.6 11.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.3 -123.38 3.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.79 153.18 32.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.83 118.28 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -128.75 102.15 6.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mp -97.68 38.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.66 103.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 pt -105.92 122.1 59.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.9 106.74 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -90.92 151.5 21.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -147.87 173.83 12.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.532 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 15.0 t -75.39 98.84 3.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 24.4 mm-40 -34.93 -34.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 17' ' ' CYS . 42.6 t -55.36 151.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' CYS . 59.0 mt-30 -98.52 -69.35 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -37.29 -28.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' GLN . 15.1 t -61.63 153.16 28.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 4.7 ptp180 -117.67 -33.41 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -38.43 131.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -115.92 -59.21 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -94.29 82.13 4.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 17' ' ' CYS . 5.9 p90 -125.36 -175.62 3.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.95 128.47 49.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 114.69 3.79 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.246 . . . . 0.0 112.378 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -126.82 92.47 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 31' ' ' VAL . 2.7 p -51.56 112.05 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.2 t -57.04 130.2 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.95 41.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.68 -58.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.54 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.3 p -114.34 19.55 16.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.792 0.33 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 95.9 p 51.43 34.73 12.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.577 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -103.93 121.33 7.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.4 mt -74.46 99.14 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.121 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.577 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.4 m-30 -112.58 163.23 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' HIS . 25.6 p -64.86 151.06 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 41' ' ' LEU . 6.9 tt -43.93 -31.79 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -73.02 -35.0 66.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' CYS . 42.4 m170 -107.39 21.14 17.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -74.75 -33.4 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 m -67.57 146.85 53.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 40.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -131.97 -44.29 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -61.29 -38.82 88.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 51' ' ' CYS . 18.4 p-80 -104.95 28.88 6.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 33.63 53.09 0.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 17.3 t -45.77 135.12 7.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.361 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.552 ' OG ' HG23 ' A' ' 54' ' ' VAL . 89.4 p -68.73 -28.84 67.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 62.2 46.83 5.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.552 HG23 ' OG ' ' A' ' 52' ' ' SER . 86.1 t -61.6 -50.69 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -53.88 -46.06 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.8 m -110.17 105.76 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 54' ' ' VAL . 89.4 t -123.27 135.26 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.49 140.5 45.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -118.84 134.76 54.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -77.23 155.09 82.27 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.631 0.729 . . . . 0.0 110.828 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 155.09 66.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -108.05 127.26 53.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.3 p -139.44 174.24 10.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.75 146.52 4.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -91.08 171.3 9.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -95.97 143.34 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.43 146.14 46.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.1 m -125.91 162.18 25.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -150.79 171.55 17.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 54.5 p -134.07 152.71 51.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.46 136.22 5.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -173.19 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.9 m -154.21 155.41 35.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.92 161.6 14.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.827 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.532 -179.99 . . . . . . . . 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 -0.344 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.3 m -152.42 172.85 15.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.835 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -147.11 168.95 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.83 178.04 26.66 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.447 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -139.63 147.98 41.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -142.44 134.88 27.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.41 148.24 18.9 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -100.08 138.33 37.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.84 127.03 24.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' ASP . 9.3 pt-20 -102.15 83.27 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.02 88.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' GLU . 25.7 t70 -64.67 93.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 13' ' ' ILE . 40.4 mt -76.24 61.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.14 116.94 1.25 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.478 ' NE2' ' HB ' ' A' ' 38' ' ' ILE . 14.1 tm0? -78.17 159.02 28.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -137.01 146.05 44.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -68.92 111.62 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.519 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 9.5 mm100 -41.36 -36.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 20' ' ' GLN . 48.8 t -53.84 154.04 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.428 ' N ' HG12 ' A' ' 19' ' ' VAL . 65.1 tp60 -100.37 -70.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -41.13 -28.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.451 ' SG ' ' CG ' ' A' ' 24' ' ' GLN . 18.0 t -56.71 -71.83 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 62.16 42.89 9.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.451 ' CG ' ' SG ' ' A' ' 22' ' ' CYS . 8.1 mm100 -84.24 172.01 12.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -163.26 137.86 6.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t70 70.97 43.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -113.4 174.62 5.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -88.39 128.29 53.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 120.81 7.53 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -131.95 101.54 5.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 31' ' ' VAL . 10.4 p -60.36 114.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.7 t -60.18 131.94 52.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -82.6 41.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.435 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -146.07 -65.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.5 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.1 p -104.15 17.84 23.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 m 50.61 41.62 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -112.52 124.14 6.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.478 ' HB ' ' NE2' ' A' ' 15' ' ' GLN . 82.1 mt -77.44 99.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.361 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.3 m-30 -110.94 165.49 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 p -64.36 153.3 38.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 tt -43.38 -40.06 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.14 -37.89 84.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 43.5 m170 -101.96 18.39 20.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -71.92 -34.66 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.8 t -75.41 141.94 43.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 25.3 mttt -57.67 -61.82 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -40.88 -50.02 3.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.2 m -43.86 -50.74 7.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 29.0 p-80 -105.81 31.22 5.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.813 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 33.52 43.29 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.455 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 50' ' ' GLY . 19.5 t -31.1 135.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 t -58.47 -31.25 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 56.81 45.33 21.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -94.78 -27.98 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 34' ' ' GLY . 29.8 m-20 -60.16 -42.19 94.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.5 m -94.42 40.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.1 p -82.52 140.53 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -85.32 85.22 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.7 153.88 49.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -64.71 144.63 98.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 171.83 13.74 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.716 2.277 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -40.01 143.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.488 HG22 ' N ' ' A' ' 64' ' ' ASP . 29.3 m -86.63 159.38 19.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.488 ' N ' HG22 ' A' ' 63' ' ' THR . 39.0 t70 -34.97 141.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -43.28 121.54 2.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' LYS . 80.7 m-70 -90.83 179.88 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' HIS . 25.9 mtpp -37.3 -56.96 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.7 p 43.13 43.39 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -78.74 166.02 22.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.8 p -168.17 173.67 7.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -154.01 133.46 3.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -35.58 12.38 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.297 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t 43.69 40.74 3.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.1 p -72.31 175.19 6.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.806 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.501 -179.963 . . . . . . . . 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 . . . . . 0.406 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.9 t -37.69 -58.51 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t 64.95 43.26 3.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.828 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.23 151.04 20.38 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 p -120.98 166.81 13.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 t -81.84 154.48 25.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.1 156.73 27.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.9 ttt -154.46 152.33 30.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.37 125.21 20.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -150.4 105.96 3.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.0 mt -146.8 127.17 13.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -61.99 122.95 16.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.3 mm -99.6 116.68 43.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.87 103.18 1.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.518 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.1 174.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -125.16 176.28 6.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 6.9 t -76.59 100.31 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.481 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 23.3 mm-40 -33.89 -36.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' CYS . 21.4 t -56.82 151.29 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' CYS . 10.4 tp-100 -98.39 -72.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' GLN . 17.4 p80 -35.63 -31.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.0 t -58.16 119.09 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' GLN . 88.6 mtt-85 -87.11 -27.26 23.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' ARG . 1.9 mp0 -37.41 148.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -153.92 171.39 19.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' ARG . 12.7 t0 36.05 47.74 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.493 ' CE2' ' HB3' ' A' ' 40' ' ' CYS . 3.7 p90 -105.13 -175.26 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -88.09 130.17 47.25 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.602 0.715 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 123.59 10.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -132.28 91.92 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 31' ' ' VAL . 13.7 p -53.01 114.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.2 t -58.3 141.74 50.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.44 44.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -152.83 -63.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.53 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.0 p -104.4 17.41 24.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 t 49.3 37.97 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.543 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -107.45 122.42 6.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.5 mt -74.71 97.52 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.543 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.9 m-30 -108.41 166.51 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.493 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 30.0 p -68.7 161.88 27.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tt -52.04 -29.52 21.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -73.59 -36.08 65.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -107.93 19.01 20.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -69.24 -34.72 75.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.0 134.3 36.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.584 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 22.4 mttp -50.47 -54.57 21.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -42.96 -51.9 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 m -44.43 -57.59 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.584 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 27.0 p-80 -97.82 29.09 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 33.63 49.01 0.52 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 50' ' ' GLY . 7.7 t -32.93 135.96 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.7 p -64.68 -30.04 71.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 57.98 44.21 19.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.88 -32.38 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 34' ' ' GLY . 33.7 m-20 -60.71 -44.77 96.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.6 m -106.59 103.75 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -89.37 131.99 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -48.46 173.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -46.77 133.82 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.454 ' CB ' HG23 ' A' ' 63' ' ' THR . 38.7 mmm-85 -37.74 142.78 0.41 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -91.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -40.04 -71.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.454 HG23 ' CB ' ' A' ' 60' ' ' ARG . 2.0 t -67.29 92.13 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.36 154.23 3.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -82.25 103.02 11.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -93.87 148.67 21.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -140.43 150.25 43.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.6 t -151.55 140.07 20.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -83.21 -48.54 10.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.5 m 61.63 48.84 5.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.36 122.36 6.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 157.68 59.49 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.637 2.225 . . . . 0.0 112.347 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.8 m -127.48 162.35 26.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.3 t -167.33 165.06 15.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.481 -179.963 . . . . . . . . 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 -0.304 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -119.2 173.93 6.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.889 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 p -149.31 165.56 31.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.53 139.67 2.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -159.99 137.64 9.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 m -141.44 151.26 43.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.26 167.31 25.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.36 133.64 20.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.36 168.13 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -173.19 137.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.7 mt -113.67 102.72 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -64.91 83.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.6 pt -108.11 126.29 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 40.72 73.57 0.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.503 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -63.06 158.96 18.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.946 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -103.68 148.96 25.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.4 t -60.39 108.67 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 45.3 mm-40 -40.6 -37.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.5 t -46.23 149.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -102.88 -46.35 4.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.505 ' C ' ' ND1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -75.6 7.81 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.487 ' SG ' ' CG ' ' A' ' 24' ' ' GLN . 4.4 t -88.23 -54.17 4.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 38.38 44.97 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.487 ' CG ' ' SG ' ' A' ' 22' ' ' CYS . 8.2 mm-40 -75.44 158.66 32.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' ASP . 27.8 mmt180 -118.94 141.5 48.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' ARG . 7.5 m-20 34.62 54.97 0.68 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.415 ' CG ' ' HB3' ' A' ' 40' ' ' CYS . 15.5 p90 -92.9 171.78 8.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mt -89.38 119.39 69.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.629 0.728 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 127.26 14.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.397 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -143.31 116.08 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 31' ' ' VAL . 1.6 p -69.09 108.09 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.9 t -55.78 123.62 14.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -79.25 43.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.57 -59.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.549 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.7 p -110.03 14.31 23.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t 54.91 38.2 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.525 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -110.66 121.75 5.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.0 mp -75.01 97.98 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.525 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.9 m-30 -108.97 164.83 12.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.415 ' HB3' ' CG ' ' A' ' 27' ' ' PHE . 20.3 p -64.15 -178.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.83 -47.34 78.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -64.3 -32.86 74.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 50.9 m170 -105.54 17.8 23.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -71.85 -38.76 70.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.3 p -68.67 170.63 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.405 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 29.4 mttp -103.05 40.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.17 -40.84 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.4 m -64.53 -40.51 95.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.438 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 24.1 p-80 -100.12 26.39 6.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 34.53 52.33 0.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 t -41.69 133.8 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.8 m -74.83 -27.83 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 54.53 46.11 25.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 55' ' ' ASN . 8.1 p -87.55 -40.43 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.406 ' N ' HG13 ' A' ' 54' ' ' VAL . 4.2 m-20 -44.65 -57.18 3.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.9 m -81.87 40.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.2 p -42.98 143.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -58.73 140.91 54.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 60' ' ' ARG . 5.7 mm-40 -107.33 175.36 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 59' ' ' GLU . 20.2 ttt180 -34.32 135.67 0.37 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.716 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 160.9 47.99 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -167.32 129.33 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.7 p -45.76 101.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -83.72 140.65 31.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.35 170.85 6.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.401 ' NE2' ' C ' ' A' ' 68' ' ' SER . 0.9 OUTLIER -90.6 139.63 30.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -100.22 -62.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.401 ' C ' ' NE2' ' A' ' 66' ' ' HIS . 66.2 m -138.94 164.46 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -135.03 168.91 18.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.8 p -128.2 177.89 6.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -125.92 133.98 8.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.498 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.7 p -138.58 176.42 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 87.6 p -119.42 174.54 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.501 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -149.1 111.1 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.824 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.9 t -171.19 160.72 6.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.76 129.39 4.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -141.61 137.72 32.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -149.31 176.68 10.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.48 132.27 3.66 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.2 mtt -87.13 165.67 15.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.14 136.17 49.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -131.12 109.67 10.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.5 mt -140.83 114.22 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.8 102.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.2 mt -92.96 105.22 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.57 86.79 0.29 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.512 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.567 ' HG3' HD13 ' A' ' 38' ' ' ILE . 36.2 mm-40 -52.18 174.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -133.55 175.15 9.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.7 t -80.12 105.39 11.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.504 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 40.9 mt-30 -39.7 -37.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.529 HG11 ' CE1' ' A' ' 21' ' ' HIS . 40.2 t -53.07 150.72 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 22' ' ' CYS . 29.4 tt0 -96.68 -69.99 0.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.529 ' CE1' HG11 ' A' ' 19' ' ' VAL . 17.4 p80 -36.47 -29.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 20' ' ' GLN . 10.9 t -62.04 159.37 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -128.86 -31.69 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -42.12 128.15 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -121.9 -48.3 2.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -86.83 54.77 3.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.587 ' CD2' ' HA ' ' A' ' 40' ' ' CYS . 51.4 p90 -111.92 -176.04 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.0 mt -98.64 128.04 33.93 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.612 0.72 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 117.63 5.21 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.324 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -122.93 94.24 4.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 31' ' ' VAL . 5.0 p -46.28 114.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.6 t -63.65 127.29 30.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.55 43.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.92 -53.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.444 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.0 p -119.32 10.26 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m 60.87 35.26 19.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.491 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -105.37 126.76 8.75 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.567 HD13 ' HG3' ' A' ' 15' ' ' GLN . 24.1 mt -77.98 100.62 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.898 0.38 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.504 ' CE1' ' HB2' ' A' ' 18' ' ' GLN . 1.6 m-30 -112.36 177.25 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.587 ' HA ' ' CD2' ' A' ' 27' ' ' PHE . 24.1 p -77.47 -177.87 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 tp -66.48 -46.78 75.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.974 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -64.96 -29.62 70.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -110.81 16.21 21.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 40' ' ' CYS . 4.7 ptm180 -68.34 -34.4 76.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.9 p -71.67 178.27 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -91.4 -61.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -42.74 -46.89 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -45.02 -40.28 6.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 33.6 p-80 -118.46 33.22 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 35.02 41.24 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 16.7 t -34.48 147.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.7 m -72.64 -17.71 61.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' HB3' ' CG1' ' A' ' 57' ' ' VAL . 52.3 mt-10 50.07 54.5 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 81.4 t -86.45 -51.25 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -45.46 -37.59 5.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 57' ' ' VAL . 10.3 m -125.6 -174.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 57' ' ' VAL . 14.0 p 35.07 38.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -143.0 140.16 30.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -48.52 104.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -118.96 142.43 31.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 90.92 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -152.75 134.8 14.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 t -46.4 118.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.102 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -108.97 174.8 5.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -55.33 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -55.07 178.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -112.67 152.6 28.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.1 p -64.87 163.16 14.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -110.66 169.79 8.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.4 p -125.88 177.63 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.43 130.17 5.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -173.68 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 t -141.95 174.91 10.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.4 p -125.8 169.93 12.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.495 -179.999 . . . . . . . . 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 . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 1' ' ' GLY . 4.2 m -35.62 150.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -88.12 -56.8 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.85 103.47 0.17 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 m -112.62 110.56 20.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.382 . . . . 0.0 110.829 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -168.82 111.73 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.64 42.16 0.49 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ttt -101.98 156.45 17.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.15 159.32 17.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -120.25 100.02 6.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mp -126.77 82.66 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.91 144.11 40.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.26 108.3 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.75 71.42 0.16 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -80.53 160.49 25.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -136.05 173.96 11.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.0 t -73.62 104.92 4.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.483 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 23.4 mm100 -37.92 -37.36 0.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.429 HG11 ' CE1' ' A' ' 21' ' ' HIS . 42.3 t -55.86 129.66 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 22' ' ' CYS . 18.4 mt-30 -79.42 -68.5 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.429 ' CE1' HG11 ' A' ' 19' ' ' VAL . 29.2 p80 -42.01 -24.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 23' ' ' ARG . 1.8 t -67.34 -50.58 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 22' ' ' CYS . 14.0 ptt180 31.34 44.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -69.98 162.37 28.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -136.72 130.26 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.5 t70 69.81 44.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -106.17 174.44 5.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.1 mt -102.75 125.75 34.76 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.68 9.37 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.36 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -133.07 101.63 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 p -53.87 116.7 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.8 t -64.54 140.6 58.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -89.09 38.92 0.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.1 -58.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.436 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.8 p -112.77 21.82 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 m 46.23 42.47 10.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -110.72 122.5 6.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.514 HD12 ' H ' ' A' ' 38' ' ' ILE . 5.1 mp -74.84 97.37 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.7 m-30 -108.47 169.06 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' HIS . 27.9 p -73.84 150.86 40.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 41' ' ' LEU . 10.4 tt -43.12 -30.74 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.46 -37.69 68.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 33.7 m170 -107.17 18.96 21.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -68.56 -32.13 71.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.812 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.4 t -71.78 147.07 47.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.58 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 44.1 mttt -67.54 -55.21 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -46.7 -49.4 19.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -44.82 -50.84 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.58 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 25.3 p-80 -104.68 26.55 8.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.81 48.23 0.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.482 ' C ' ' O ' ' A' ' 50' ' ' GLY . 19.1 t -31.26 138.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 t -61.1 -21.91 64.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 60.8 51.23 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.515 HG22 ' HE ' ' A' ' 60' ' ' ARG . 99.1 t -86.14 -45.52 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -84.18 32.81 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.67 -175.13 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.9 t -44.15 139.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.6 tptt 61.46 52.79 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.1 mp0 -49.66 158.68 0.43 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.515 ' HE ' HG22 ' A' ' 54' ' ' VAL . 12.6 mtm180 -79.64 162.68 62.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.565 0.698 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.98 68.83 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -79.82 113.63 18.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.4 p -117.68 37.09 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -129.35 125.07 35.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -80.37 172.13 14.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -59.0 140.3 55.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -90.98 178.65 5.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 t -67.06 175.04 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -96.27 169.14 10.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.9 p -92.6 169.66 10.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.872 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -133.67 134.57 7.54 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 166.34 27.9 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.708 2.272 . . . . 0.0 112.374 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 61.0 p -172.96 171.07 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.0 m -156.7 171.3 20.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.494 179.98 . . . . . . . . 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 -0.365 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m 56.14 42.15 28.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -124.0 -52.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.79 -147.65 8.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 t -119.0 171.76 8.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.834 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.6 p -82.44 118.5 23.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.73 134.72 12.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.1 mmt -129.87 139.06 51.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -155.88 135.37 12.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.106 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -139.47 138.08 36.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 tp -109.97 93.73 4.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -113.77 130.11 56.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 pt -101.41 120.93 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.94 41.11 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.813 HE21 HG21 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -60.06 158.93 10.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -165.1 173.61 11.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.813 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.0 t -70.28 104.02 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.437 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 17.0 mm100 -41.93 -35.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.428 HG11 ' CE1' ' A' ' 21' ' ' HIS . 49.1 t -55.12 143.18 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 22' ' ' CYS . 15.6 mm100 -92.62 -73.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.7 p-80 -34.77 -32.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' GLN . 37.0 t -52.4 136.77 30.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.51 29.85 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -75.21 144.62 42.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.6 mtp85 -124.36 154.78 39.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 t0 38.52 42.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -86.16 172.66 10.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.2 mt -94.87 131.91 29.44 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.651 0.738 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.473 ' HB3' ' NE2' ' A' ' 15' ' ' GLN . 53.6 Cg_endo -69.83 129.6 17.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -139.92 108.82 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 31' ' ' VAL . 2.2 p -67.41 105.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.5 t -54.72 124.48 16.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.434 ' C ' ' HE2' ' A' ' 46' ' ' LYS . 1.4 m-20 -81.02 39.69 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.93 -59.5 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.0 p -110.23 12.21 23.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 t 58.23 38.72 26.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.539 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -113.2 123.83 6.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.813 HG21 HE21 ' A' ' 15' ' ' GLN . 4.5 mp -76.0 98.37 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.539 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.6 m-30 -110.16 163.27 13.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.7 p -64.92 156.55 30.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.454 HD23 ' C ' ' A' ' 41' ' ' LEU . 9.0 tt -48.73 -32.48 8.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -32.93 63.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -109.2 21.5 17.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -76.47 -30.67 57.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.5 p -70.17 153.09 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HE2' ' C ' ' A' ' 33' ' ' ASP . 52.5 mttt -87.91 37.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -130.08 -38.76 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.8 p -64.32 -39.99 95.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' GLY . 30.5 p-80 -105.91 27.12 8.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 34.58 48.42 0.67 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLY . 6.1 t -34.09 131.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.9 m -64.59 -27.75 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 54.44 47.42 22.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -85.0 -26.31 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -69.59 -47.62 62.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.4 p -130.38 108.08 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 p -86.28 150.17 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' O ' ' HD3' ' A' ' 58' ' ' LYS . 3.8 tmtt? -84.89 -0.24 53.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -109.0 47.13 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -163.87 129.13 2.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.671 ' O ' HG23 ' A' ' 63' ' ' THR . 53.5 Cg_endo -69.77 124.57 11.21 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.654 2.236 . . . . 0.0 112.325 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.6 112.66 0.58 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 61' ' ' PRO . 67.9 p -114.77 154.95 27.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.98 96.34 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -133.43 116.02 15.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.444 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 62.5 t60 59.46 43.4 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.82 126.78 52.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.5 t -154.8 140.95 18.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -162.1 113.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -156.3 153.89 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.42 69.3 0.21 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 118.98 6.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 81.9 p -148.43 144.1 27.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 t -149.53 166.83 28.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.495 -179.963 . . . . . . . . 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 1.452 -0.264 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -126.39 -55.14 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 t -101.12 122.76 44.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.86 44.14 1.57 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -45.67 108.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 m -53.93 156.88 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.45 87.21 0.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -83.87 166.52 17.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.311 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.91 133.88 50.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -103.93 125.3 50.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.7 mt -106.95 43.82 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -97.15 40.3 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 13' ' ' ILE . 6.2 mt 40.43 47.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . 87.43 60.63 1.62 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' GLY . 6.1 tp-100 -35.73 147.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.406 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -108.65 174.54 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 t -68.32 112.43 5.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.412 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 20.9 mt-30 -47.84 -35.6 10.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 t -50.25 153.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -96.62 -74.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -37.93 -33.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.1 t -49.83 -75.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 57.15 35.49 26.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -67.16 151.41 47.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -111.26 -50.45 2.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.8 82.7 1.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.431 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 15.6 p90 -133.71 175.16 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -108.28 130.06 23.26 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.601 0.715 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 123.82 10.5 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.664 2.242 . . . . 0.0 112.406 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -137.99 117.04 12.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 31' ' ' VAL . 1.6 p -67.83 115.75 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.7 t -66.1 122.84 18.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -77.86 45.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -147.89 -53.14 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.7 p -117.05 9.04 13.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.0 t 60.12 39.2 19.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -112.04 123.58 6.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.532 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.08 96.91 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.6 m-30 -108.11 168.26 9.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 43' ' ' HIS . 25.1 p -72.55 149.57 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.402 ' C ' HD23 ' A' ' 41' ' ' LEU . 8.2 tt -40.51 -36.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -69.63 -38.03 77.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 40' ' ' CYS . 45.9 m170 -102.7 19.73 18.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -70.93 -37.7 72.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.7 t -61.79 165.19 5.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -98.34 21.35 11.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -111.35 -39.36 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.9 m -60.47 -47.34 86.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' GLY . 33.1 p-80 -101.19 22.92 11.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 35.97 52.94 1.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 50' ' ' GLY . 4.7 t -34.4 128.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.347 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 m -71.57 -18.19 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 46.37 51.07 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -82.21 -36.72 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -61.06 -40.73 94.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.5 p -136.62 109.27 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.514 ' O ' HG22 ' A' ' 57' ' ' VAL . 9.6 p -126.41 40.04 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -163.88 124.7 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.62 79.26 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -161.51 141.33 7.86 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 107.66 1.9 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -126.09 41.88 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.2 p -151.4 172.66 15.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -117.91 113.04 21.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 -118.91 144.85 46.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -87.63 151.59 22.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -43.91 153.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 70' ' ' SER . 30.1 t -155.15 123.96 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.575 ' CG ' ' O ' ' A' ' 69' ' ' TYR . 21.0 p90 -52.27 90.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' SER . 19.3 m -153.24 149.69 28.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.28 145.31 17.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.529 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 167.15 25.24 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.368 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 m -114.97 -51.77 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.2 m -90.21 -55.2 3.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.522 -179.965 . . . . . . . . 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 1.452 -0.297 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -51.37 -55.78 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.859 0.361 . . . . 0.0 110.895 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -170.77 171.29 6.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.49 -167.44 20.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -155.18 161.35 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.82 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -161.26 147.41 14.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.46 141.82 8.8 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.3 tpt -80.22 157.63 26.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.68 121.51 8.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -145.44 142.12 29.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 11' ' ' LEU . 1.4 pt? -140.52 126.01 18.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.76 85.82 2.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 pt -56.9 -25.41 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 46.66 72.1 0.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.433 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -55.01 170.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 0.0 110.916 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -145.62 174.79 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.5 t -74.24 103.87 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.448 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 34.4 mm-40 -41.24 -37.35 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.555 HG11 ' CE1' ' A' ' 21' ' ' HIS . 11.6 t -54.16 145.01 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' HIS . 10.0 mm100 -94.02 -67.3 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.555 ' CE1' HG11 ' A' ' 19' ' ' VAL . 12.3 p80 -38.11 -33.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.441 ' N ' ' ND1' ' A' ' 21' ' ' HIS . 39.8 t -56.9 133.36 54.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -120.53 72.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -116.8 134.63 54.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -101.99 -50.97 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -123.42 78.53 1.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -110.41 -179.82 3.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.4 mt -99.3 124.95 43.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 126.01 12.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -138.71 110.21 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.409 HG12 ' H ' ' A' ' 31' ' ' VAL . 2.3 p -65.4 109.92 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.7 t -58.7 126.53 28.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -80.88 41.74 0.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.1 -57.41 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.449 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.2 p -113.51 12.7 18.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.326 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.0 m 58.1 36.96 26.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -110.14 122.23 6.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.446 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.67 98.01 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.4 m-30 -109.79 163.98 13.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 43' ' ' HIS . 27.5 p -68.03 152.53 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD23 ' C ' ' A' ' 41' ' ' LEU . 9.5 tt -43.48 -35.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -69.73 -36.57 75.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.432 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 33.3 m170 -106.17 21.08 17.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.2 ptt-85 -74.44 -30.34 61.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 m -68.72 150.91 47.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 40.1 mttt -86.23 35.26 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.34 -40.14 1.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.2 p -62.44 -40.77 97.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' GLY . 34.2 p-80 -102.32 23.71 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' HIS . . . 37.53 51.25 1.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.3 t -40.44 126.18 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -64.81 -19.56 65.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 47.34 52.12 12.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -39.7 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -55.24 -45.54 76.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 56' ' ' VAL . 27.3 m -74.15 85.27 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.7 t -66.47 143.7 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -55.5 142.49 32.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -46.1 107.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -99.36 136.25 20.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 91.53 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.24 . . . . 0.0 112.329 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 63' ' ' THR . 3.4 ttmm -120.0 159.67 24.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 62' ' ' LYS . 7.4 t -36.07 142.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -97.1 162.98 13.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -77.74 168.87 19.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -67.75 169.53 9.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -121.3 133.92 55.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.7 p -100.7 169.37 9.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -145.62 167.54 22.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.9 m -163.46 178.84 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -125.28 160.89 19.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.24 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -165.81 175.5 8.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.3 t -170.65 134.24 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.5 180.0 . . . . . . . . 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 -0.281 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m 60.02 42.11 16.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 110.917 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t -112.05 131.56 55.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.85 140.04 2.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 p -163.81 144.74 8.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.381 . . . . 0.0 110.826 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -122.61 139.88 53.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.48 -176.02 14.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 tpt -172.55 124.53 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.312 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.94 134.48 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -112.17 40.66 2.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.34 93.93 5.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -66.23 102.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 pt -113.04 -174.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.82 -127.29 0.88 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.752 ' HG2' HG21 ' A' ' 38' ' ' ILE . 2.1 pm0 -111.53 152.28 27.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.89 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.425 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 1.6 p-80 -146.27 177.96 8.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 t -73.59 103.18 4.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -45.71 -33.26 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.34 150.45 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' CYS . 21.0 tt0 -99.37 -72.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 20' ' ' GLN . 4.2 p-80 -37.03 -29.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 20' ' ' GLN . 44.3 t -54.0 128.39 30.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mtp-105 -118.7 39.54 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -85.11 174.57 9.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -167.66 140.04 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 62.38 41.51 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 5.1 p90 -98.28 171.31 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 70.9 mt -87.65 134.65 35.31 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.564 0.697 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.34 9.02 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 32.0 m-85 -140.55 109.85 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.479 ' N ' HD13 ' A' ' 38' ' ' ILE . 2.1 p -73.23 110.45 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.3 t -45.74 139.22 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -84.29 35.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.74 -59.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 p -108.88 23.79 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.9 p 40.05 49.03 2.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.611 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -114.34 119.04 4.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.752 HG21 ' HG2' ' A' ' 15' ' ' GLN . 6.3 mm -65.96 94.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 111.18 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.611 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 2.5 m-30 -107.06 164.32 12.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 44' ' ' ARG . 25.3 p -71.52 162.17 29.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 tp -45.02 -50.07 10.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -60.33 -40.68 91.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -97.22 16.08 20.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 40' ' ' CYS . 14.0 ptt180 -66.84 -34.05 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -71.13 176.96 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.549 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 52.0 mttt -92.01 -64.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -42.49 -41.74 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -45.09 -47.85 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.549 ' CE1' ' HA ' ' A' ' 46' ' ' LYS . 44.1 p-80 -107.3 31.06 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 40.12 39.59 1.57 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.463 ' C ' ' O ' ' A' ' 50' ' ' GLY . 17.0 t -33.47 136.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.8 m -78.48 -28.12 46.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 57.44 50.02 11.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -100.79 -33.24 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 55' ' ' ASN . 1.2 t30 -62.44 -59.23 5.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 56' ' ' VAL . 18.6 m -65.04 80.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 p -117.89 148.51 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -47.34 108.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -67.0 167.14 12.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 9.4 ptm180 -56.68 111.51 3.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.631 0.729 . . . . 0.0 110.844 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 60' ' ' ARG . 53.9 Cg_endo -69.8 128.1 15.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.698 2.266 . . . . 0.0 112.372 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 171.79 2.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.0 m -66.57 129.63 40.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.129 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -65.85 162.79 18.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -50.96 -61.23 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -56.9 99.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -120.67 -43.5 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.5 m -141.41 175.74 9.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 58.3 41.18 23.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.2 m -158.25 155.04 28.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 150.99 -64.03 0.39 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 147.43 62.79 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 m -157.16 165.9 34.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.5 p -48.9 138.16 11.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.492 -179.993 . . . . . . . . 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 -0.247 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 m -149.06 173.38 13.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 t -153.83 140.72 19.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.98 -173.19 27.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -120.87 119.25 32.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -145.54 168.27 21.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.33 66.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.4 163.78 25.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.86 148.85 25.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -132.14 83.91 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.3 tp -128.44 89.86 2.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -91.02 116.8 29.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.3 mt -100.33 109.74 25.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.74 53.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.36 163.6 27.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.408 ' CD2' ' H ' ' A' ' 16' ' ' HIS . 5.0 p80 -114.83 164.46 14.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.6 t -61.23 99.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 5.7 mm100 -37.94 -35.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 22' ' ' CYS . 36.5 t -53.47 138.74 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -90.27 -64.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -41.89 -32.27 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.418 ' H ' HG12 ' A' ' 19' ' ' VAL . 43.0 t -60.35 137.2 58.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -130.8 41.23 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -87.63 141.51 28.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -130.63 137.12 49.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.6 t70 71.21 44.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 6.9 p90 -102.01 173.89 6.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.2 mt -97.14 138.41 21.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 118.75 5.87 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.639 2.226 . . . . 0.0 112.323 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -132.39 99.5 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 p -58.73 122.11 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.5 t -66.33 142.73 57.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.18 40.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.408 ' HA3' ' SG ' ' A' ' 51' ' ' CYS . . . -145.37 -42.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.6 p -129.83 19.62 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.8 m 47.74 45.51 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.559 ' HA3' ' CE1' ' A' ' 39' ' ' PHE . . . -115.71 124.21 6.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.85 102.08 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE1' ' HA3' ' A' ' 37' ' ' GLY . 1.3 m-30 -115.42 163.05 16.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.9 p -57.22 -178.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 tp -65.9 -48.28 71.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.87 -38.04 86.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -100.43 18.69 18.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -72.74 -40.49 66.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 m -93.64 161.57 14.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -69.73 -172.83 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t0 61.67 24.98 14.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 t -134.98 -33.71 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -121.88 15.61 10.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.57 39.03 96.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.408 ' SG ' ' HA3' ' A' ' 34' ' ' GLY . 8.3 t -43.11 126.99 4.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -61.27 -35.4 77.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 64.28 46.9 3.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.61 -36.56 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.72 ' OD1' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -53.02 -37.69 61.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.72 HG13 ' OD1' ' A' ' 55' ' ' ASN . 35.3 m -79.3 41.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.462 ' O ' ' C ' ' A' ' 58' ' ' LYS . 9.8 p -82.87 144.22 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 57' ' ' VAL . 2.6 mmmm -33.66 145.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -125.86 135.86 52.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -72.58 128.56 88.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 63' ' ' THR . 53.5 Cg_endo -69.76 -179.84 3.2 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -46.61 121.32 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 64' ' ' ASP . 18.6 p -120.41 126.45 50.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 63' ' ' THR . 26.4 p-10 -34.59 129.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -143.02 162.1 36.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -78.9 135.17 36.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -100.34 133.88 44.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.0 m -101.72 149.33 24.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -97.03 176.38 5.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 94.8 p -157.25 167.28 30.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 169.45 132.27 1.42 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -49.2 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.9 m 52.68 43.21 31.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.6 p -103.42 169.56 8.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.43 -179.987 . . . . . . . . 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_