data_2e5r_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 2e5r _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.817 0.341 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.3 t -98.92 -37.73 9.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -98.59 -72.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.8 0.333 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -112.55 104.21 12.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.963 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -96.83 122.35 39.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 9.7 t -46.5 162.11 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.475 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 41.5 mt-30 -70.25 -73.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.456 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.2 tp-100 -108.18 104.61 14.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.57 168.1 3.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -79.86 -69.89 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -135.01 87.02 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.519 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.5 t80 -133.03 102.35 5.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -124.57 133.7 53.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.7 mt -136.76 170.46 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.7 p -115.04 177.12 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -44.37 -54.03 6.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' CYS . 0.7 OUTLIER -55.63 -69.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' ASP . 59.1 m -37.02 -42.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -68.94 -52.86 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -46.62 -44.71 18.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -80.79 -38.89 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.2 118.53 2.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -125.14 157.61 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.3 -175.75 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.44 179.94 48.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.09 -35.63 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 t -87.15 -71.63 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 77.0 t60 -71.41 136.96 47.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.7 t -105.84 136.19 45.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -51.03 -20.82 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -86.83 24.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 17.8 m170 -108.54 122.62 47.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -80.66 157.49 25.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.3 mmm -115.96 144.46 44.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -108.32 144.49 35.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.781 0.324 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t -104.1 -41.17 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -97.18 -73.02 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.777 0.322 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 12.7 m-85 -117.27 107.02 13.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -94.77 131.23 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.411 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 19.0 t -46.98 159.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 16.3 mt-30 -66.91 -74.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 16.0 tt0 -108.24 105.27 14.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.35 155.63 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -66.9 -73.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -132.06 83.64 2.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.506 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 3.9 t80 -132.84 102.55 5.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -123.43 142.02 51.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.402 HD12 ' CE2' ' A' ' 35' ' ' TYR . 26.7 mt -148.87 172.43 14.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.9 p -113.47 176.92 4.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -48.62 -48.53 39.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -59.13 -63.81 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.2 m -43.03 -48.38 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 17.7 t80 -61.57 -53.35 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -46.2 -53.88 9.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -65.43 -39.29 91.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.11 112.85 2.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -124.49 155.25 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.31 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.25 -175.05 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.76 179.41 48.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.62 -31.24 0.39 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.5 m -91.32 -73.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 63.3 t60 -66.36 150.85 48.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.422 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 40.1 t -113.45 156.9 22.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -70.7 -23.06 62.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -89.8 24.84 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.534 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 14.2 m170 -103.5 123.31 46.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -81.51 168.82 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.519 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 12.2 mtp -128.14 149.14 50.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -122.65 146.11 47.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.561 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 46.5 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.9 m -92.63 -60.43 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.439 ' CD1' ' CE1' ' A' ' 46' ' ' HIS . 14.4 t80 -73.91 -68.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 26' ' ' ARG . 2.6 tmm_? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.768 0.318 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -119.52 109.62 15.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -92.38 126.57 37.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 6.4 t -48.98 162.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.497 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 29.5 mt-30 -68.48 -74.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -108.76 104.69 14.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.15 159.11 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -71.73 -71.4 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -132.61 84.56 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.501 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 3.8 t80 -133.61 102.61 5.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -125.75 133.59 52.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.452 HD11 ' CE2' ' A' ' 35' ' ' TYR . 23.6 mt -138.5 160.25 40.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' GLN . 20.0 p -101.34 161.72 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' CYS . 3.5 tp-100 -34.95 -51.94 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -57.32 -62.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 18.2 m -41.29 -51.31 3.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.53 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 13.1 t80 -59.29 -54.91 41.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -46.94 -39.64 12.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -74.16 -39.19 63.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.6 94.9 1.74 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.439 ' CE1' ' CD1' ' A' ' 16' ' ' TYR . 34.2 m170 -110.99 142.5 43.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.82 -177.19 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.81 -179.91 48.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.7 -37.57 1.33 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.547 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 m -84.2 -72.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.915 0.388 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 72.9 t60 -68.02 135.58 52.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.4 t -103.6 136.67 42.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -51.9 -20.63 2.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -87.5 24.51 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 16.7 m170 -107.28 123.34 48.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -79.33 171.97 14.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.53 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 13.0 mtp -132.78 146.78 52.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -115.28 149.28 38.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.6 m -108.05 -40.35 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -90.67 -65.83 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.813 0.339 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -114.3 102.83 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -94.71 126.69 40.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 13.8 t -46.85 160.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 10.2 mt-30 -69.88 -73.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 32.1 tp60 -108.43 104.63 14.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.33 156.33 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.2 -72.66 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -134.96 86.19 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -133.4 102.7 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -123.33 142.39 51.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -147.55 162.55 38.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.8 p -104.74 170.02 8.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -42.08 -49.01 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -59.53 -62.69 1.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 m -40.57 -46.15 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 14.1 t80 -63.43 -53.8 46.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -47.06 -53.62 12.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -65.12 -37.76 88.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.79 110.69 2.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -123.81 149.03 46.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.08 -176.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.85 -179.95 48.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.03 -34.09 1.35 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.1 m -85.69 -71.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 82.3 t60 -70.75 139.37 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.1 t -107.3 139.08 42.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -55.58 -21.18 16.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -86.24 24.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 20.6 m170 -108.1 120.4 42.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -79.89 141.46 36.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.407 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 23.2 mtp -103.34 135.07 45.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -101.26 142.89 32.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.813 0.34 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -83.44 -34.97 25.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.807 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -109.46 -65.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.844 0.354 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 59' ' ' GLU . 1.9 m-85 -113.0 97.45 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -84.82 122.41 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.479 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 12.5 t -50.23 162.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 25.9 mt-30 -71.14 -74.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 26.6 tp60 -108.47 104.88 14.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.22 170.2 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -78.46 -75.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -134.96 85.81 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.403 ' CE2' HD13 ' A' ' 37' ' ' LEU . 3.5 t80 -133.5 102.28 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -127.37 123.91 37.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD13 ' CE2' ' A' ' 35' ' ' TYR . 81.8 mt -130.68 177.78 7.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.482 ' O ' ' C ' ' A' ' 39' ' ' GLN . 21.5 p -108.94 149.7 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 38' ' ' CYS . 11.5 tt0 -31.83 -53.64 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -52.0 -57.79 8.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.7 m -49.93 -51.25 42.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 5.6 t80 -52.99 -56.16 18.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -50.97 -44.86 60.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -61.24 -39.32 89.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.64 96.8 2.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -121.98 141.68 51.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.62 -174.99 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 50' ' ' SER . . . 179.86 178.67 48.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.475 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.69 -31.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' GLY . 3.2 m -93.82 -75.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.829 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 79.6 t60 -67.05 144.17 56.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.9 t -112.24 153.11 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -66.71 -16.04 63.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.71 23.74 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 14.8 m170 -104.36 121.17 42.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.423 ' HB2' ' CD ' ' A' ' 30' ' ' GLN . 12.2 mm100 -75.12 160.52 30.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.569 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 19.6 mtp -131.76 141.73 49.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -101.78 122.41 43.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.56 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . 1.5 pm0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -95.57 -41.1 9.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -94.15 -70.17 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -122.31 110.75 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -102.93 127.75 50.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.816 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 10.5 t -50.47 159.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.44 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 23.8 mt-30 -67.97 -73.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.463 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 1.2 tm0? -108.34 105.26 14.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.4 m -175.22 153.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -65.21 -72.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -133.69 85.31 2.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.518 ' CZ ' ' CD2' ' A' ' 51' ' ' HIS . 12.0 t80 -133.09 102.14 5.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -127.59 138.77 52.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.411 ' HB3' ' CB ' ' A' ' 41' ' ' CYS . 96.3 mt -139.64 162.92 33.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.1 p -100.9 172.35 7.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.17 -51.85 7.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' CYS . 42.1 t0 -58.78 -64.42 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.411 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 5.3 m -36.6 -54.13 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -58.26 -59.45 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -41.09 -46.75 3.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -73.1 -39.38 65.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.82 110.07 2.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -123.06 149.52 44.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.43 -175.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.6 -179.85 48.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.87 -30.05 0.33 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.537 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.7 m -90.68 -73.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 84.2 t60 -70.11 147.77 49.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 t -110.5 139.61 45.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -56.21 -25.08 45.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -74.24 -34.58 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.0 m170 -47.88 120.77 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -81.87 149.97 28.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.401 ' SD ' ' HA ' ' A' ' 29' ' ' CYS . 53.6 mmm -105.69 147.22 28.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -117.32 149.74 39.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.856 0.36 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -114.88 -35.19 4.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -87.97 -44.54 10.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.832 0.349 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -119.77 117.73 28.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -104.39 136.02 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 9.7 t -61.7 159.65 13.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.443 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 10.6 mt-30 -66.71 -76.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.467 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 8.4 tp60 -108.48 105.03 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.06 150.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -59.22 -75.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -132.66 87.68 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.711 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 3.2 t80 -133.59 102.58 5.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -128.65 125.07 37.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 mt -127.57 167.61 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.2 p -114.03 167.22 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -38.38 -54.54 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -60.24 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.8 m -46.7 -64.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 2.9 t80 -47.23 -56.46 6.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -45.41 -44.6 12.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -72.91 -37.89 67.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.73 100.51 1.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -121.13 140.3 52.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.342 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -172.07 -176.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.75 178.58 48.66 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.35 -29.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.466 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' GLY . 20.8 m -88.76 -70.34 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.888 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.711 ' CD2' ' CE2' ' A' ' 35' ' ' TYR . 79.9 t60 -81.1 141.92 33.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.543 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 43.7 t -105.35 128.05 53.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -46.63 -31.44 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.4 -34.95 79.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 27.2 m170 -47.13 116.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -84.31 136.09 34.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.437 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 28.8 mtp -104.11 137.45 42.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -107.67 158.25 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.801 0.334 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.4 t -92.13 -31.94 15.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -113.42 -71.34 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.957 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.795 0.331 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -108.29 104.32 13.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -98.56 123.52 42.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.493 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 6.5 t -44.77 162.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 36.0 mt-30 -69.11 -74.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 22.7 tt0 -108.47 104.55 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.02 158.48 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -68.54 -72.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -134.92 86.68 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -133.37 102.55 5.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -123.79 146.57 48.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.404 ' HB3' ' CB ' ' A' ' 41' ' ' CYS . 96.7 mt -149.65 165.82 31.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.15 176.9 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -47.84 -51.52 22.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -61.32 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 20.8 m -41.49 -48.69 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 7.0 t80 -63.46 -58.86 5.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -41.14 -41.92 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -80.64 -38.38 29.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.33 116.16 2.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -123.39 149.75 44.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.16 -176.85 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.65 177.13 48.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -37.99 -28.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' GLY . 15.7 m -93.17 -75.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.383 . . . . 0.0 110.87 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.544 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 72.4 t60 -67.26 153.66 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.1 t -114.16 148.69 36.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -63.9 -25.34 68.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -75.59 -32.58 60.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 19.1 m170 -48.38 125.89 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -81.65 171.53 14.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.477 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 12.9 mtp -130.73 134.63 47.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -101.01 149.74 23.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.828 0.347 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 t -91.85 -39.42 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -101.39 -73.07 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.803 0.335 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -125.54 120.42 30.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -103.64 146.3 28.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 3.3 t -65.46 161.85 19.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.506 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 22.3 mt-30 -67.4 -76.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.46 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 23.1 tp60 -108.94 104.27 13.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.44 149.18 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -58.62 -75.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -132.76 86.76 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.607 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 10.8 t80 -132.73 102.45 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.64 151.48 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.46 ' CD1' ' HE1' ' A' ' 57' ' ' MET . 87.2 mt -152.06 163.03 40.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.6 p -102.92 176.88 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -48.31 -50.83 28.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -58.75 -65.37 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.8 m -37.85 -51.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.532 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 8.6 t80 -60.35 -53.15 61.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -47.43 -46.67 26.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -73.62 -38.34 65.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.18 108.47 1.68 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.441 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -121.65 151.1 40.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.795 0.331 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.6 -175.03 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.27 179.13 48.92 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.423 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -41.75 -29.95 0.57 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 m -89.17 -70.37 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 110.88 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.607 ' CD2' ' CE2' ' A' ' 35' ' ' TYR . 83.1 t60 -74.43 143.62 44.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.404 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 11.2 t -104.91 135.32 46.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -54.34 -29.67 48.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -67.68 -34.3 76.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 37.2 m170 -49.27 119.56 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -79.13 156.66 28.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.532 ' HG3' ' CD1' ' A' ' 42' ' ' PHE . 20.4 mmm -122.68 132.32 54.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -116.51 156.57 26.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.8 0.333 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 m -94.4 -31.67 13.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -109.35 -73.76 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.847 0.356 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -112.47 111.66 22.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.53 123.34 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.1 t -45.58 161.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.477 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 47.4 mt-30 -68.63 -74.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 4.3 tp60 -108.55 104.52 13.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.6 167.61 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -76.65 -74.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -131.94 88.71 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -132.99 102.4 5.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -123.86 143.65 50.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 41' ' ' CYS . 80.6 mt -150.4 157.18 42.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 p -98.64 176.77 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -46.11 -48.77 17.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.68 -64.35 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 24.6 m -38.79 -50.79 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -60.42 -60.93 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -43.6 -42.64 5.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -71.6 -38.31 70.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.33 111.29 2.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.437 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . 7.1 m170 -121.96 144.86 48.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.769 0.318 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.69 -177.59 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.76 178.39 48.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.56 -28.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.526 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 48' ' ' GLY . 22.6 t -94.79 -73.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 72.5 t60 -68.66 150.99 47.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.1 t -114.93 132.44 56.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -49.28 -22.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -76.5 -34.01 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 17.6 m170 -48.62 122.95 6.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 57' ' ' MET . 33.6 tp60 -78.85 160.44 27.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.445 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 47.5 mmm -119.21 133.2 55.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -94.84 144.2 25.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 t -102.5 -27.08 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -103.92 -71.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 26' ' ' ARG . 3.4 ptm85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.336 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.527 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 82.6 m-85 -117.84 100.17 7.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -91.94 123.78 35.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 19.1 t -42.98 162.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.454 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 16.8 mt-30 -74.77 -71.47 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 5.3 tp60 -108.34 104.67 14.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.26 170.34 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -78.31 -73.7 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -134.91 87.55 2.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.416 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.1 t80 -133.31 102.65 5.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.8 137.71 54.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.7 mt -144.78 150.08 36.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.1 p -94.92 173.49 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.473 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 33.2 tt0 -45.59 -41.1 9.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -66.53 -64.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 65.6 m -45.38 -53.09 9.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -57.49 -61.82 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 39' ' ' GLN . 6.8 m95 -40.81 -43.37 2.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -70.26 -39.14 75.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.99 106.87 2.08 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -123.57 151.44 42.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.801 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.86 -176.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.85 179.91 48.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -41.11 -33.23 0.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.0 m -87.02 -68.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 77.6 t60 -75.42 137.76 41.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -103.83 129.54 51.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -47.74 -25.23 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -84.03 25.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 18.7 m170 -106.29 121.22 43.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -78.62 144.99 34.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.0 mtp -111.89 137.04 50.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -95.55 132.28 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.527 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 11.2 tm-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.831 0.348 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 m -98.09 -47.63 5.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -87.4 -66.99 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.444 ' CZ ' ' OE1' ' A' ' 36' ' ' GLN . 13.9 ttt180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.819 0.342 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -115.49 117.53 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.2 ttt85 -105.85 129.61 53.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.3 t -50.9 162.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.49 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 28.3 mt-30 -70.33 -74.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.462 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 1.4 tp-100 -108.61 104.68 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.52 161.01 3.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -71.38 -71.8 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -135.02 87.04 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -133.22 102.57 5.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' OE1' ' CZ ' ' A' ' 26' ' ' ARG . 10.3 mt-30 -123.75 149.37 45.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HB3' ' CB ' ' A' ' 41' ' ' CYS . 44.1 mt -153.25 154.36 34.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.4 p -95.47 171.11 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.585 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 13.1 tt0 -42.79 -47.41 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -63.04 -61.89 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.428 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 32.9 m -43.28 -57.29 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -53.98 -56.88 13.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 39' ' ' GLN . 10.2 m0 -43.47 -53.06 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -63.9 -39.32 93.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.52 113.43 3.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -123.75 148.11 46.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.96 -177.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.81 179.24 48.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.32 -29.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' GLY . 11.2 t -91.47 -74.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 79.5 t60 -67.18 148.26 52.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -112.87 133.19 54.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -50.4 -25.2 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -73.24 -34.66 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.3 m170 -47.04 127.07 9.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -82.43 164.26 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.9 mtp -126.63 140.15 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -108.25 151.62 25.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 t -96.9 -39.5 9.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -90.99 -70.74 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.8 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.792 0.329 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -119.69 110.47 16.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 -94.54 125.11 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.481 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.7 t -45.0 162.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.481 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 17.0 mt-30 -71.29 -73.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 9.3 tt0 -108.67 104.3 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.13 167.17 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -74.96 -75.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -134.84 87.52 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.476 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.3 t80 -133.25 102.89 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -121.25 142.64 49.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.1 mt -145.23 161.29 39.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.6 p -105.96 176.28 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -46.06 -50.19 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.3 -62.27 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.8 m -43.38 -44.3 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -63.39 -57.68 9.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -45.13 -45.19 11.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -75.21 -38.76 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.73 113.89 1.47 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -122.94 152.82 40.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.24 -175.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.67 176.33 47.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.88 -30.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' GLY . 49.0 m -92.48 -75.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 110.805 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 82.2 t60 -65.64 154.0 40.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.8 t -119.57 132.06 55.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -49.84 -24.5 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -75.09 -33.39 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 26.4 m170 -49.69 119.18 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.31 143.63 32.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.3 mmm -99.15 134.93 41.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -98.3 142.99 29.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.858 0.361 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t -99.84 -39.74 8.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -97.87 -67.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.93 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.1 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -120.71 123.13 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -99.94 131.14 46.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 2.4 t -50.75 160.79 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 52.6 mt-30 -64.6 -76.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 23.3 tp60 -109.2 104.27 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.72 133.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -43.22 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -133.74 85.31 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.456 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.0 t80 -133.37 103.03 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -122.7 151.94 41.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.1 mt -150.71 149.65 30.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.0 p -98.97 176.94 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -46.61 -49.58 18.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -61.73 -59.76 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 m -39.89 -56.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.404 ' CE2' ' HG3' ' A' ' 57' ' ' MET . 0.2 OUTLIER -59.11 -51.29 70.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -45.6 -41.93 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -81.27 -38.74 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.95 111.63 2.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -123.54 142.15 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.51 -175.47 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 51' ' ' HIS . . . -179.93 -179.8 48.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.546 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.83 -28.18 0.65 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.0 m -90.49 -70.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.549 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 78.6 t60 -72.22 148.03 45.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 t -112.8 128.01 56.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -46.32 -27.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -70.42 -35.2 73.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.7 m170 -45.41 119.42 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -75.9 172.99 11.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.404 ' HG3' ' CE2' ' A' ' 42' ' ' PHE . 21.6 mtp -136.71 153.06 50.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -130.13 136.14 48.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.2 t -105.55 -24.27 12.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.518 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 4.8 t80 -98.68 -53.33 3.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.1 mmt-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.811 0.339 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -118.34 108.11 14.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.459 ' NH2' ' NE2' ' A' ' 36' ' ' GLN . 4.6 tpp180 -102.56 132.62 48.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.6 t -54.14 158.81 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -68.74 -74.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.48 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 31.7 tp60 -108.15 104.57 14.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.64 150.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -57.33 -75.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.401 ' HA ' ' NH1' ' A' ' 28' ' ' ARG . 6.8 m-80 -134.94 89.03 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.595 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.1 t80 -130.95 102.58 6.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.459 ' NE2' ' NH2' ' A' ' 28' ' ' ARG . 30.5 mt-30 -121.28 141.18 51.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' HB3' ' CB ' ' A' ' 41' ' ' CYS . 26.0 mt -150.45 165.28 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.4 p -108.48 169.75 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 27.3 tt0 -41.1 -51.68 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -56.84 -61.56 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.472 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 15.9 m -40.8 -53.72 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.528 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 6.1 t80 -61.72 -52.76 62.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 39' ' ' GLN . 8.3 m0 -43.87 -41.45 5.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -79.03 -39.43 33.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.62 101.2 1.98 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.518 ' CE1' ' CE1' ' A' ' 16' ' ' TYR . 17.4 m170 -115.02 153.33 30.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.833 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.07 -177.14 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLY . . . -179.99 -179.81 48.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.89 -36.24 0.31 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.0 m -86.71 -73.6 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.595 ' CG ' ' CE2' ' A' ' 35' ' ' TYR . 76.3 t60 -69.96 139.02 52.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -107.54 134.39 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -50.31 -20.84 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -86.73 24.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 15.6 m170 -108.51 120.19 41.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -85.04 134.86 34.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.528 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 29.3 mtp -96.81 159.09 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -124.82 150.87 45.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.1 t -100.14 -31.83 11.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -97.3 -66.53 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.9 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -124.76 107.23 10.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -99.46 127.95 45.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 23.8 t -44.06 160.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.416 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 8.0 mt-30 -71.53 -73.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 30.7 tt0 -108.28 104.61 14.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.28 152.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -60.57 -74.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -135.0 87.2 2.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.428 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 3.9 t80 -133.55 102.73 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -123.55 138.24 54.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.438 ' CD1' ' HE1' ' A' ' 57' ' ' MET . 22.6 mt -141.42 157.97 44.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 39' ' ' GLN . 20.8 p -105.4 165.8 10.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' CYS . 10.0 tt0 -35.51 -52.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -57.38 -65.76 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 66.2 m -42.44 -47.79 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -61.84 -49.72 75.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -53.79 -45.49 70.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -69.58 -37.27 76.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.07 105.49 1.52 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.435 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -119.86 149.18 42.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.68 -178.26 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.79 176.59 47.63 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.02 -37.17 0.59 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.7 p -81.68 -66.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.826 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 66.7 t60 -79.27 131.36 36.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.7 t -97.23 139.15 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -55.47 -20.21 11.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -85.28 24.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 20.4 m170 -107.48 119.7 40.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -80.12 141.7 35.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.438 ' HE1' ' CD1' ' A' ' 37' ' ' LEU . 60.0 mmm -99.68 127.71 45.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.24 127.97 44.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.2 p -95.11 -39.5 10.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -104.55 -73.66 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.8 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.862 0.363 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -119.88 110.55 16.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.52 126.73 45.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 8.5 t -49.98 162.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 27.9 mt-30 -71.96 -74.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.2 tp-100 -108.64 104.86 14.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.59 155.84 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -66.9 -71.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -133.9 86.08 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.434 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.2 t80 -133.42 102.09 5.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 -126.73 120.27 28.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.1 mt -118.41 156.73 28.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 39' ' ' GLN . 20.7 p -100.71 165.29 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 38' ' ' CYS . 20.9 tt0 -35.17 -59.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 41' ' ' CYS . 25.6 t0 -53.37 -66.16 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 40' ' ' ASP . 8.6 m -37.1 -50.07 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 11.2 t80 -63.55 -51.85 63.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -45.53 -44.36 12.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -80.26 -39.12 29.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.27 116.25 3.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -124.48 150.4 45.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.37 -176.57 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.65 -179.73 48.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.57 -28.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' GLY . 23.9 m -93.86 -75.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.585 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 83.2 t60 -64.98 153.67 39.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.8 t -119.09 137.58 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -53.1 -26.68 17.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.444 ' HG2' ' N ' ' A' ' 55' ' ' HIS . 1.9 pt20 -72.97 -34.78 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.2 m170 -48.6 118.36 2.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -75.59 158.02 33.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.472 ' HG3' ' CD1' ' A' ' 42' ' ' PHE . 45.1 mmm -120.88 119.49 32.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.83 144.86 25.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -107.21 -34.89 6.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.431 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 5.0 t80 -90.28 -61.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.828 0.347 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -125.85 119.93 29.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -97.35 134.59 40.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.51 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 5.9 t -54.91 162.85 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.51 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 51.3 mt-30 -70.06 -74.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 11.2 tp60 -109.07 104.8 14.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -173.98 162.29 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -70.94 -72.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.467 ' ND2' HE22 ' A' ' 36' ' ' GLN . 20.5 t-20 -134.98 89.52 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.406 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 6.3 t80 -133.92 102.4 5.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.467 HE22 ' ND2' ' A' ' 34' ' ' ASN . 1.5 mp0 -125.53 111.96 15.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.425 ' CG ' ' HE2' ' A' ' 57' ' ' MET . 80.9 mt -115.52 154.41 29.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.3 p -98.15 168.59 10.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -40.71 -53.11 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.33 -59.02 5.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.8 m -45.06 -52.58 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 8.3 t80 -61.38 -56.4 20.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.5 m0 -42.8 -41.24 3.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -77.82 -38.17 46.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.2 99.44 1.75 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.431 ' CE1' ' CE1' ' A' ' 16' ' ' TYR . 21.1 m170 -114.83 148.83 37.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.18 -178.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.97 179.68 48.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.89 -31.94 0.32 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.0 m -88.48 -70.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 75.2 t60 -76.52 139.53 40.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.552 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 8.0 t -102.49 134.51 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -53.53 -24.89 14.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -84.76 25.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 30.4 m170 -107.11 119.48 39.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -73.44 160.09 32.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.552 ' HG3' ' CD1' ' A' ' 42' ' ' PHE . 28.3 mmm -128.62 124.29 35.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -102.13 146.26 28.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.809 0.338 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -92.84 -50.78 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -87.72 -72.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -119.38 100.37 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -94.06 123.25 37.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.4 t -42.07 163.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 27.9 mt-30 -69.8 -74.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.438 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 3.3 tp-100 -108.53 104.8 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -173.28 162.06 4.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -73.24 -70.68 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -134.22 85.52 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.489 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.4 t80 -132.82 102.66 5.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -123.24 140.7 52.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.2 mt -147.47 168.08 22.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.422 ' SG ' ' OD2' ' A' ' 40' ' ' ASP . 17.5 p -107.37 174.31 5.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -43.76 -59.86 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -52.2 -64.36 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' ASP . 5.6 m -35.25 -49.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.531 ' CE1' ' HG2' ' A' ' 57' ' ' MET . 4.3 t80 -69.22 -50.83 43.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -43.45 -42.55 4.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -81.27 -38.86 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.47 111.97 3.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -122.1 156.47 33.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.18 -176.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' GLY . . . -179.74 179.61 48.82 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.88 -36.42 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.6 t -88.38 -75.7 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 67.5 t60 -64.45 145.82 55.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -110.23 151.28 27.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -65.03 -20.04 66.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -90.91 23.82 3.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.55 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 19.0 m170 -105.68 121.28 43.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -80.35 155.87 27.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.531 ' HG2' ' CE1' ' A' ' 42' ' ' PHE . 38.8 mmm -115.72 134.81 54.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -109.5 139.08 44.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.868 0.365 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.5 t -102.6 -41.67 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 5.1 t80 -91.05 -69.61 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.876 0.37 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -105.26 100.22 9.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.4 ttp85 -93.53 120.08 33.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 13.4 t -48.22 161.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.466 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 23.4 mt-30 -71.02 -73.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.8 tt0 -108.41 105.07 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.78 172.75 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.409 ' C ' ' OD1' ' A' ' 34' ' ' ASN . 21.7 m170 -81.97 -72.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 33' ' ' HIS . 5.2 m-20 -135.09 88.2 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.548 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.1 t80 -132.42 102.37 5.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -128.09 117.4 21.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.0 mt -117.44 164.61 14.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 p -106.52 174.13 6.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -44.65 -55.27 5.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' CYS . 29.9 t70 -56.67 -68.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' ASP . 7.7 m -33.84 -55.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -57.73 -51.25 70.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -48.16 -41.89 28.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 44' ' ' ARG . 2.2 mmp_? -78.47 -39.16 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.73 106.29 2.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -121.36 147.49 45.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.19 -178.74 1.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.67 178.9 48.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.49 -33.71 0.59 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.472 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -82.12 -65.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 76.8 t60 -85.91 134.49 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.487 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 43.5 t -98.68 128.89 45.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -48.3 -24.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -84.4 25.57 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 18.2 m170 -105.58 119.28 38.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -73.29 142.86 47.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.5 mmm -104.32 157.81 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -118.36 122.38 42.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -170.88 125.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -166.6 167.33 15.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.79 157.68 15.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -102.5 42.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -128.72 42.12 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.46 -88.53 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m -76.66 138.62 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.51 ' CG ' ' O ' ' A' ' 9' ' ' PHE . 1.7 p90 -137.12 119.71 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.446 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 11.7 m170 52.26 54.3 13.7 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 10' ' ' HIS . 54.3 Cg_endo -69.74 -175.81 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 HG11 ' CE2' ' A' ' 63' ' ' TRP . 98.8 t -71.98 89.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -121.13 133.84 55.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -67.75 179.15 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.3 t -98.92 -37.73 9.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -98.59 -72.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.4 p -64.52 -13.83 54.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 39.05 53.39 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.6 t -62.76 170.99 2.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -125.33 -44.05 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.8 t -54.98 144.62 22.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.5 mtp -93.14 78.95 4.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.6 mmm -128.44 -49.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.82 -171.15 23.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -140.42 179.46 6.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.559 ' HB2' ' CD1' ' A' ' 63' ' ' TRP . 1.7 tmm_? -84.1 107.49 16.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -112.55 104.21 12.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.963 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -96.83 122.35 39.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 9.7 t -46.5 162.11 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.475 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 41.5 mt-30 -70.25 -73.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.456 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.2 tp-100 -108.18 104.61 14.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.57 168.1 3.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -79.86 -69.89 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -135.01 87.02 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.519 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.5 t80 -133.03 102.35 5.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -124.57 133.7 53.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.7 mt -136.76 170.46 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.7 p -115.04 177.12 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -44.37 -54.03 6.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' CYS . 0.7 OUTLIER -55.63 -69.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' ASP . 59.1 m -37.02 -42.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -68.94 -52.86 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -46.62 -44.71 18.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -80.79 -38.89 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.2 118.53 2.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -125.14 157.61 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.3 -175.75 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.44 179.94 48.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.09 -35.63 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 t -87.15 -71.63 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 77.0 t60 -71.41 136.96 47.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.7 t -105.84 136.19 45.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -51.03 -20.82 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -86.83 24.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 17.8 m170 -108.54 122.62 47.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -80.66 157.49 25.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.3 mmm -115.96 144.46 44.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -108.32 144.49 35.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -85.3 125.36 32.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -134.43 155.24 50.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.5 p -115.69 86.99 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 t -130.32 -49.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 26' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -154.33 166.37 33.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -107.22 141.62 38.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.57 -171.41 14.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -52.98 162.13 0.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.38 . . . . 0.0 110.885 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -131.74 86.73 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.82 -89.53 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.0 t -41.47 131.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -56.47 -49.6 74.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -92.93 150.62 39.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.582 0.706 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 121.42 8.11 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.377 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.9 t -93.42 86.46 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -119.16 159.98 22.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.546 ' HA ' ' CZ3' ' A' ' 63' ' ' TRP . 1.8 t -86.89 -176.81 5.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t -104.1 -41.17 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -97.18 -73.02 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 p -59.7 -17.39 34.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.3 m80 47.4 49.12 16.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.4 t -73.38 149.59 42.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -112.13 -47.51 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.6 t -53.18 131.3 36.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.5 mtt -71.89 89.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.4 ttm -108.69 -58.36 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.58 -125.58 5.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 9.9 m-85 -159.09 -177.57 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.47 ' HB3' ' CE2' ' A' ' 63' ' ' TRP . 3.6 ptp85 -83.85 107.05 16.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 12.7 m-85 -117.27 107.02 13.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.565 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 31.2 ttm180 -94.77 131.23 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.411 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 19.0 t -46.98 159.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 16.3 mt-30 -66.91 -74.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 16.0 tt0 -108.24 105.27 14.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.35 155.63 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -66.9 -73.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -132.06 83.64 2.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.506 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 3.9 t80 -132.84 102.55 5.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -123.43 142.02 51.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.402 HD12 ' CE2' ' A' ' 35' ' ' TYR . 26.7 mt -148.87 172.43 14.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.9 p -113.47 176.92 4.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -48.62 -48.53 39.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -59.13 -63.81 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.2 m -43.03 -48.38 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 17.7 t80 -61.57 -53.35 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -46.2 -53.88 9.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -65.43 -39.29 91.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.11 112.85 2.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -124.49 155.25 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.31 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.25 -175.05 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.76 179.41 48.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.62 -31.24 0.39 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.5 m -91.32 -73.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 63.3 t60 -66.36 150.85 48.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.422 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 40.1 t -113.45 156.9 22.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -70.7 -23.06 62.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -89.8 24.84 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.534 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 14.2 m170 -103.5 123.31 46.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -81.51 168.82 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.519 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 12.2 mtp -128.14 149.14 50.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -122.65 146.11 47.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.561 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 46.5 mt-10 -77.21 131.81 38.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 28' ' ' ARG . 21.9 m-85 -117.04 175.14 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.8 p -92.72 -46.16 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.3 m -116.55 132.05 56.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.546 ' CZ3' ' HA ' ' A' ' 14' ' ' CYS . 44.6 m95 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 m -133.36 -60.13 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.904 0.383 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -45.0 154.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.54 -139.98 2.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -76.59 -60.32 2.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 t -118.65 140.19 50.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.02 55.7 1.83 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.2 p -89.2 127.1 42.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -140.38 161.95 36.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -44.68 150.29 0.71 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.545 0.688 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 6.35 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.733 2.289 . . . . 0.0 112.351 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -125.27 98.3 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -132.02 169.09 16.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -115.65 175.33 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.9 m -92.63 -60.43 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.439 ' CD1' ' CE1' ' A' ' 46' ' ' HIS . 14.4 t80 -73.91 -68.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 18' ' ' HIS . 1.9 p -68.55 -18.9 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.456 ' C ' ' O ' ' A' ' 17' ' ' CYS . 34.8 p80 33.72 46.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.7 p -74.89 -175.37 2.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 21' ' ' SER . 0.8 OUTLIER -129.93 -39.4 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.432 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 1.8 m -51.77 128.69 24.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.58 82.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.3 tpt -134.35 84.55 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.39 -158.55 18.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -147.19 177.9 8.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 63' ' ' TRP . 2.6 tmm_? -80.64 118.66 22.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -119.52 109.62 15.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -92.38 126.57 37.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 6.4 t -48.98 162.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.497 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 29.5 mt-30 -68.48 -74.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -108.76 104.69 14.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.15 159.11 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -71.73 -71.4 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -132.61 84.56 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.501 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 3.8 t80 -133.61 102.61 5.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -125.75 133.59 52.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD11 ' CE2' ' A' ' 35' ' ' TYR . 23.6 mt -138.5 160.25 40.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' GLN . 20.0 p -101.34 161.72 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' CYS . 3.5 tp-100 -34.95 -51.94 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -57.32 -62.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 18.2 m -41.29 -51.31 3.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.53 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 13.1 t80 -59.29 -54.91 41.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -46.94 -39.64 12.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -74.16 -39.19 63.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.6 94.9 1.74 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.439 ' CE1' ' CD1' ' A' ' 16' ' ' TYR . 34.2 m170 -110.99 142.5 43.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.82 -177.19 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.81 -179.91 48.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.7 -37.57 1.33 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.547 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 m -84.2 -72.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.915 0.388 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 72.9 t60 -68.02 135.58 52.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.4 t -103.6 136.67 42.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -51.9 -20.63 2.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -87.5 24.51 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 16.7 m170 -107.28 123.34 48.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -79.33 171.97 14.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.53 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 13.0 mtp -132.78 146.78 52.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -115.28 149.28 38.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -77.54 134.98 38.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -155.4 168.94 25.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.95 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.4 t -132.58 100.12 4.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.405 ' HB2' ' NH2' ' A' ' 26' ' ' ARG . 7.2 t -110.08 -46.22 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 26' ' ' ARG . 4.6 m0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -113.95 108.32 16.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.877 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -134.37 -61.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.31 -85.78 0.2 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 m 53.62 41.92 31.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.844 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -132.53 147.47 52.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.25 -162.89 26.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.0 m -64.8 -50.01 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 0.0 111.195 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -146.06 135.4 22.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -82.01 140.56 46.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.552 0.691 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 154.27 67.87 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.3 t -53.05 92.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.583 ' O ' ' CZ3' ' A' ' 63' ' ' TRP . 17.1 mt-10 -123.15 138.94 54.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.13 -178.7 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.6 m -108.05 -40.35 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -90.67 -65.83 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.9 p -72.49 -16.8 61.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.4 m80 44.88 51.91 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.3 t -66.27 172.42 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -123.57 -48.26 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' MET . 7.7 t -46.32 128.26 9.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' SER . 6.4 tpt -37.18 -48.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -41.37 137.33 1.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.63 104.83 2.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -84.15 179.68 7.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.892 0.377 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.51 ' HG2' ' CE2' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -91.06 107.52 19.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -114.3 102.83 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -94.71 126.69 40.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 13.8 t -46.85 160.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 10.2 mt-30 -69.88 -73.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 32.1 tp60 -108.43 104.63 14.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.33 156.33 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.2 -72.66 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -134.96 86.19 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -133.4 102.7 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -123.33 142.39 51.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -147.55 162.55 38.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.8 p -104.74 170.02 8.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -42.08 -49.01 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -59.53 -62.69 1.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 m -40.57 -46.15 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 14.1 t80 -63.43 -53.8 46.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -47.06 -53.62 12.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -65.12 -37.76 88.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.79 110.69 2.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -123.81 149.03 46.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.08 -176.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.85 -179.95 48.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.03 -34.09 1.35 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.1 m -85.69 -71.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 82.3 t60 -70.75 139.37 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.1 t -107.3 139.08 42.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -55.58 -21.18 16.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -86.24 24.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 20.6 m170 -108.1 120.4 42.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -79.89 141.46 36.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.407 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 23.2 mtp -103.34 135.07 45.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -101.26 142.89 32.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -89.58 123.22 33.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -114.86 160.37 19.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.6 m -40.76 -64.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.164 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.4 p -174.87 156.1 2.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.583 ' CZ3' ' O ' ' A' ' 13' ' ' GLU . 9.1 m-90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 t -140.18 168.78 19.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -171.02 119.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.09 159.65 2.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.511 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 p -129.24 126.71 39.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.825 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p -171.94 131.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.09 -129.42 2.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.5 m -118.22 82.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.859 0.362 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -140.57 156.51 46.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -100.2 153.81 37.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.807 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 86.19 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.3 t -133.11 89.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -131.48 141.85 49.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' H ' ' N ' ' A' ' 19' ' ' SER . 3.8 t -52.99 175.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -83.44 -34.97 25.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.807 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -109.46 -65.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' HIS . 4.8 p -68.21 -2.04 7.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' CYS . 30.9 p80 35.32 53.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.406 ' N ' ' H ' ' A' ' 14' ' ' CYS . 8.1 t -50.59 -177.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 21' ' ' SER . 2.9 pp20? -127.29 -28.24 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 20' ' ' GLU . 74.4 p -33.88 137.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 23' ' ' MET . 37.8 tpp -53.51 169.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 22' ' ' MET . 5.1 tpt -36.19 152.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.462 ' C ' ' CG ' ' A' ' 25' ' ' PHE . . . 102.2 161.33 26.37 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.745 ' CG ' ' CE3' ' A' ' 63' ' ' TRP . 0.7 OUTLIER 73.86 54.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -117.25 128.61 55.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 59' ' ' GLU . 1.9 m-85 -113.0 97.45 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -84.82 122.41 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.479 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 12.5 t -50.23 162.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 25.9 mt-30 -71.14 -74.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 26.6 tp60 -108.47 104.88 14.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.22 170.2 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -78.46 -75.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -134.96 85.81 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.403 ' CE2' HD13 ' A' ' 37' ' ' LEU . 3.5 t80 -133.5 102.28 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -127.37 123.91 37.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD13 ' CE2' ' A' ' 35' ' ' TYR . 81.8 mt -130.68 177.78 7.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.482 ' O ' ' C ' ' A' ' 39' ' ' GLN . 21.5 p -108.94 149.7 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 38' ' ' CYS . 11.5 tt0 -31.83 -53.64 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -52.0 -57.79 8.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.7 m -49.93 -51.25 42.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 5.6 t80 -52.99 -56.16 18.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -50.97 -44.86 60.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -61.24 -39.32 89.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.64 96.8 2.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -121.98 141.68 51.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.62 -174.99 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 50' ' ' SER . . . 179.86 178.67 48.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.475 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.69 -31.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' GLY . 3.2 m -93.82 -75.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.829 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 79.6 t60 -67.05 144.17 56.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.9 t -112.24 153.11 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -66.71 -16.04 63.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.71 23.74 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 14.8 m170 -104.36 121.17 42.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.423 ' HB2' ' CD ' ' A' ' 30' ' ' GLN . 12.2 mm100 -75.12 160.52 30.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.569 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 19.6 mtp -131.76 141.73 49.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -101.78 122.41 43.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.56 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . 1.5 pm0 -89.52 124.97 35.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -91.85 105.03 17.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 m 42.38 29.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' A' ' 25' ' ' PHE . 83.4 p -55.25 -175.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.745 ' CE3' ' CG ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 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 1.452 -0.289 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 p -138.18 153.05 49.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 m -73.97 112.22 9.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.75 68.66 0.23 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -153.4 110.99 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 m -44.68 146.31 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.51 -169.92 53.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.0 m -121.92 40.0 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -107.67 127.16 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -143.0 151.7 56.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.547 0.689 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -178.7 2.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.421 HG21 ' NH2' ' A' ' 26' ' ' ARG . 78.9 t -82.44 88.93 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -127.55 119.93 27.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.13 178.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -95.57 -41.1 9.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -94.15 -70.17 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.2 p -66.12 -16.27 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 42.71 49.76 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 m -59.21 179.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 21' ' ' SER . 2.7 pm0 -127.1 -37.2 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.452 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 1.8 m -48.82 122.37 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.1 ptm -104.9 103.06 12.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.567 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 30.8 mtt -126.48 -47.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.47 61.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 23' ' ' MET . 28.0 m-85 -124.54 107.54 11.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.572 ' CD ' ' CE2' ' A' ' 63' ' ' TRP . 18.1 mmt85 -136.63 108.11 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -122.31 110.75 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -102.93 127.75 50.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.816 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 10.5 t -50.47 159.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 23.8 mt-30 -67.97 -73.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.463 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 1.2 tm0? -108.34 105.26 14.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.4 m -175.22 153.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -65.21 -72.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -133.69 85.31 2.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.518 ' CZ ' ' CD2' ' A' ' 51' ' ' HIS . 12.0 t80 -133.09 102.14 5.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.553 ' HB3' ' CE3' ' A' ' 63' ' ' TRP . 26.2 mp0 -127.59 138.77 52.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.411 ' HB3' ' CB ' ' A' ' 41' ' ' CYS . 96.3 mt -139.64 162.92 33.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.1 p -100.9 172.35 7.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.17 -51.85 7.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' CYS . 42.1 t0 -58.78 -64.42 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.411 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 5.3 m -36.6 -54.13 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -58.26 -59.45 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -41.09 -46.75 3.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -73.1 -39.38 65.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.82 110.07 2.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -123.06 149.52 44.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.43 -175.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.6 -179.85 48.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.87 -30.05 0.33 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.537 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.7 m -90.68 -73.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 84.2 t60 -70.11 147.77 49.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 t -110.5 139.61 45.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -56.21 -25.08 45.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -74.24 -34.58 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.0 m170 -47.88 120.77 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -81.87 149.97 28.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.401 ' SD ' ' HA ' ' A' ' 29' ' ' CYS . 53.6 mmm -105.69 147.22 28.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -117.32 149.74 39.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.75 124.18 27.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -119.77 171.33 8.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.0 m -78.22 -58.31 3.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 63' ' ' TRP . 17.2 m -134.06 145.0 48.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.572 ' CE2' ' CD ' ' A' ' 26' ' ' ARG . 22.2 m95 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 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 -0.31 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -94.66 134.71 36.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 4' ' ' GLY . 47.4 t -120.08 121.64 39.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.07 -43.11 0.42 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t 66.72 42.36 2.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -133.85 93.23 3.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.66 64.51 0.26 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -85.11 142.81 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.371 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.439 ' CZ ' ' HG3' ' A' ' 11' ' ' PRO . 53.1 t80 -93.47 85.47 4.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.508 ' CE1' HG22 ' A' ' 12' ' ' VAL . 9.5 t-80 -120.75 69.28 16.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.619 0.723 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.439 ' HG3' ' CZ ' ' A' ' 9' ' ' PHE . 54.2 Cg_endo -69.71 102.37 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.718 2.279 . . . . 0.0 112.362 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.508 HG22 ' CE1' ' A' ' 10' ' ' HIS . 56.7 t -125.71 81.43 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -122.41 103.66 8.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.34 -179.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -114.88 -35.19 4.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -87.97 -44.54 10.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' HIS . 14.3 p -110.82 9.4 22.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' CYS . 70.9 m-70 34.4 37.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' CYS . 27.3 t -39.64 148.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -118.78 -39.72 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 t -59.14 157.92 9.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 23' ' ' MET . 2.7 ttt -58.12 -55.58 33.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 22' ' ' MET . 5.1 ttt -37.26 152.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.5 100.24 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -80.25 177.46 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.326 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.489 ' HB3' ' CE2' ' A' ' 63' ' ' TRP . 4.0 mpt_? -87.52 114.24 23.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -119.77 117.73 28.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -104.39 136.02 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 9.7 t -61.7 159.65 13.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.443 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 10.6 mt-30 -66.71 -76.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.467 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 8.4 tp60 -108.48 105.03 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.06 150.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -59.22 -75.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -132.66 87.68 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.711 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 3.2 t80 -133.59 102.58 5.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.698 ' NE2' ' CD1' ' A' ' 63' ' ' TRP . 17.2 mt-30 -128.65 125.07 37.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 mt -127.57 167.61 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.2 p -114.03 167.22 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -38.38 -54.54 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -60.24 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.8 m -46.7 -64.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 2.9 t80 -47.23 -56.46 6.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -45.41 -44.6 12.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -72.91 -37.89 67.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.73 100.51 1.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -121.13 140.3 52.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.342 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -172.07 -176.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.75 178.58 48.66 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.35 -29.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.466 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' GLY . 20.8 m -88.76 -70.34 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.888 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.711 ' CD2' ' CE2' ' A' ' 35' ' ' TYR . 79.9 t60 -81.1 141.92 33.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.543 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 43.7 t -105.35 128.05 53.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -46.63 -31.44 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.4 -34.95 79.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 27.2 m170 -47.13 116.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -84.31 136.09 34.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.437 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 28.8 mtp -104.11 137.45 42.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -107.67 158.25 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -69.26 125.79 27.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -137.83 -179.67 5.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.9 t -133.92 -41.14 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.126 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 t -55.54 97.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.698 ' CD1' ' NE2' ' A' ' 36' ' ' GLN . 4.3 m0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 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 1.452 -0.288 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -145.12 130.98 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 t -98.43 150.36 21.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.77 40.82 2.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -85.9 145.22 27.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 p -98.89 134.35 41.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.57 51.62 1.03 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.452 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -86.93 49.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 111.087 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -87.47 20.79 2.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.544 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 1.8 t60 -69.36 -56.46 8.35 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 10' ' ' HIS . 53.9 Cg_endo -69.74 -172.77 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.55 HG11 ' CZ3' ' A' ' 63' ' ' TRP . 98.2 t -125.16 96.75 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -120.43 118.13 29.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.58 -179.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.4 t -92.13 -31.94 15.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 5.3 t80 -113.42 -71.34 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.957 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.6 p -59.67 -13.2 8.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 16' ' ' TYR . 55.5 m80 38.03 52.27 1.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 t -57.83 173.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.82 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -125.59 -40.97 2.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 t -46.1 143.63 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.7 ttm -62.48 91.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.2 mtt -125.22 86.4 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.42 56.05 2.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -127.85 91.6 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.47 ' HB2' ' NE1' ' A' ' 63' ' ' TRP . 21.2 tpp85 -91.03 111.64 23.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -108.29 104.32 13.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -98.56 123.52 42.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.493 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 6.5 t -44.77 162.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 36.0 mt-30 -69.11 -74.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 22.7 tt0 -108.47 104.55 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.02 158.48 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -68.54 -72.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -134.92 86.68 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -133.37 102.55 5.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -123.79 146.57 48.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.404 ' HB3' ' CB ' ' A' ' 41' ' ' CYS . 96.7 mt -149.65 165.82 31.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.15 176.9 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -47.84 -51.52 22.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -61.32 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 20.8 m -41.49 -48.69 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 7.0 t80 -63.46 -58.86 5.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -41.14 -41.92 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -80.64 -38.38 29.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.33 116.16 2.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -123.39 149.75 44.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.16 -176.85 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.65 177.13 48.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -37.99 -28.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' GLY . 15.7 m -93.17 -75.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.383 . . . . 0.0 110.87 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.544 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 72.4 t60 -67.26 153.66 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.1 t -114.16 148.69 36.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -63.9 -25.34 68.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -75.59 -32.58 60.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 19.1 m170 -48.38 125.89 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -81.65 171.53 14.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.477 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 12.9 mtp -130.73 134.63 47.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -101.01 149.74 23.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -90.49 130.84 36.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -121.13 146.89 46.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.6 p -113.38 81.33 1.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.173 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.0 m -130.25 -56.75 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.55 ' CZ3' HG11 ' A' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -39.83 146.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.826 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -143.81 169.23 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.82 -93.22 2.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t 63.75 42.46 6.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -72.89 134.43 44.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.53 -150.87 16.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.28 -37.83 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 111.118 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -51.56 129.32 25.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.413 ' CD2' ' H ' ' A' ' 10' ' ' HIS . 0.3 OUTLIER -112.16 81.32 3.73 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.834 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -179.28 2.79 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.611 2.207 . . . . 0.0 112.353 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -51.82 94.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -124.88 152.56 43.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -103.46 -179.61 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 t -91.85 -39.42 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -101.39 -73.07 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.6 p -58.88 -14.83 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 38.21 51.25 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.807 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -64.3 175.67 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' SER . 2.9 pp20? -134.99 -44.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' GLU . 17.7 p -37.5 109.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.7 ttt -46.77 106.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.561 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 4.2 mmt -147.16 132.59 18.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . -76.39 86.85 0.92 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.459 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 23' ' ' MET . 56.4 m-85 -149.64 105.16 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 0.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.27 107.96 6.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -125.54 120.42 30.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -103.64 146.3 28.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 3.3 t -65.46 161.85 19.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.506 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 22.3 mt-30 -67.4 -76.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.46 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 23.1 tp60 -108.94 104.27 13.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.44 149.18 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -58.62 -75.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -132.76 86.76 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.607 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 10.8 t80 -132.73 102.45 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.64 151.48 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.46 ' CD1' ' HE1' ' A' ' 57' ' ' MET . 87.2 mt -152.06 163.03 40.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.6 p -102.92 176.88 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -48.31 -50.83 28.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -58.75 -65.37 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.8 m -37.85 -51.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.532 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 8.6 t80 -60.35 -53.15 61.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -47.43 -46.67 26.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -73.62 -38.34 65.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.18 108.47 1.68 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.441 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -121.65 151.1 40.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.795 0.331 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.6 -175.03 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.27 179.13 48.92 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.423 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -41.75 -29.95 0.57 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 m -89.17 -70.37 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 110.88 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.607 ' CD2' ' CE2' ' A' ' 35' ' ' TYR . 83.1 t60 -74.43 143.62 44.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.404 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 11.2 t -104.91 135.32 46.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -54.34 -29.67 48.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -67.68 -34.3 76.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 37.2 m170 -49.27 119.56 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -79.13 156.66 28.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.532 ' HG3' ' CD1' ' A' ' 42' ' ' PHE . 20.4 mmm -122.68 132.32 54.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.411 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.7 mptm? -116.51 156.57 26.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 2.8 pp20? -68.88 135.25 50.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.491 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 63.7 m-85 -156.71 127.93 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.1 m -76.66 79.76 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.2 m -87.22 -66.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.447 ' C ' ' CD1' ' A' ' 63' ' ' TRP . 1.5 p90 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 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 -0.356 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -168.84 171.47 8.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -50.73 157.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.23 160.77 30.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 p -167.88 149.4 5.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -71.29 171.24 11.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.03 -92.64 0.38 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.5 m -45.75 147.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 111.117 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -48.03 167.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -54.3 113.48 5.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.605 0.717 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 157.82 59.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.563 HG13 ' CH2' ' A' ' 63' ' ' TRP . 90.7 t -89.03 83.58 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.141 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -122.52 125.83 46.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.98 178.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 m -94.4 -31.67 13.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -109.35 -73.76 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 p -59.99 -14.23 15.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 39.3 50.6 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.1 t -70.19 169.68 13.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -128.49 -45.95 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t -39.0 143.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.33 44.05 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 mmt -119.66 44.9 2.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.75 178.89 41.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -143.47 -177.15 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.906 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.568 ' HB2' ' CD1' ' A' ' 63' ' ' TRP . 8.3 tpt180 -97.59 109.44 22.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -112.47 111.66 22.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.53 123.34 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.1 t -45.58 161.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.477 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 47.4 mt-30 -68.63 -74.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 4.3 tp60 -108.55 104.52 13.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.6 167.61 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -76.65 -74.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -131.94 88.71 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -132.99 102.4 5.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -123.86 143.65 50.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 41' ' ' CYS . 80.6 mt -150.4 157.18 42.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 p -98.64 176.77 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -46.11 -48.77 17.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.68 -64.35 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 24.6 m -38.79 -50.79 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -60.42 -60.93 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -43.6 -42.64 5.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -71.6 -38.31 70.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.33 111.29 2.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.437 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . 7.1 m170 -121.96 144.86 48.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.769 0.318 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.69 -177.59 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.76 178.39 48.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.56 -28.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.526 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 48' ' ' GLY . 22.6 t -94.79 -73.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 72.5 t60 -68.66 150.99 47.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.1 t -114.93 132.44 56.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -49.28 -22.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -76.5 -34.01 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 17.6 m170 -48.62 122.95 6.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 57' ' ' MET . 33.6 tp60 -78.85 160.44 27.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.445 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 47.5 mmm -119.21 133.2 55.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -94.84 144.2 25.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -82.94 134.13 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -120.73 116.0 24.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.6 p -92.82 44.19 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.1 t -104.72 -46.02 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.568 ' CD1' ' HB2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 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 -0.331 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.2 p -162.15 168.09 23.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -158.46 138.5 12.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.08 -128.51 3.38 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 t -163.49 138.74 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -123.87 98.53 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.32 157.49 11.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.3 t -85.25 87.21 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -91.93 161.24 14.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -114.51 153.32 46.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 91.27 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.552 ' CG1' ' CD2' ' A' ' 63' ' ' TRP . 69.9 t -111.51 89.34 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -127.69 171.06 12.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 t -95.76 175.82 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 t -102.5 -27.08 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -103.92 -71.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 p -68.08 -14.05 62.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 40.93 51.09 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.6 p -75.46 179.34 5.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -123.55 -44.0 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 t -43.67 138.59 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 37.5 ttm -91.55 45.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.5 tmm? -107.37 81.22 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.45 ' O ' ' CZ3' ' A' ' 63' ' ' TRP . . . 142.38 -166.82 26.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -141.4 173.86 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.581 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . 3.4 ptm85 -84.82 122.39 29.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.527 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 82.6 m-85 -117.84 100.17 7.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -91.94 123.78 35.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 19.1 t -42.98 162.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 16.8 mt-30 -74.77 -71.47 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 5.3 tp60 -108.34 104.67 14.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.26 170.34 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -78.31 -73.7 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -134.91 87.55 2.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.416 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.1 t80 -133.31 102.65 5.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.8 137.71 54.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.7 mt -144.78 150.08 36.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.1 p -94.92 173.49 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 33.2 tt0 -45.59 -41.1 9.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -66.53 -64.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 65.6 m -45.38 -53.09 9.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -57.49 -61.82 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 39' ' ' GLN . 6.8 m95 -40.81 -43.37 2.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -70.26 -39.14 75.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.99 106.87 2.08 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -123.57 151.44 42.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.801 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.86 -176.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.85 179.91 48.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -41.11 -33.23 0.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.0 m -87.02 -68.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 77.6 t60 -75.42 137.76 41.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -103.83 129.54 51.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -47.74 -25.23 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -84.03 25.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 18.7 m170 -106.29 121.22 43.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -78.62 144.99 34.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.0 mtp -111.89 137.04 50.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -95.55 132.28 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.527 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 11.2 tm-20 -86.79 137.54 32.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.424 ' HB2' ' CD ' ' A' ' 26' ' ' ARG . 46.8 m-85 -127.18 138.86 53.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.8 t -83.86 27.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.5 m -117.91 37.27 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.581 ' CD1' ' HB3' ' A' ' 26' ' ' ARG . 1.9 t90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.51 159.41 29.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.834 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -128.52 176.01 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.38 120.96 0.59 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -64.44 151.49 44.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 0.0 110.864 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 p -75.09 151.45 38.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.45 -165.36 11.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.41 141.39 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -98.23 35.24 1.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.519 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 3.6 t60 -69.6 -58.17 6.01 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.623 0.725 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 10' ' ' HIS . 53.7 Cg_endo -69.75 -172.61 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.73 2.286 . . . . 0.0 112.287 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.408 HG12 ' CZ3' ' A' ' 63' ' ' TRP . 87.7 t -74.86 106.24 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.597 ' O ' ' CZ2' ' A' ' 63' ' ' TRP . 30.7 mm-40 -118.69 -174.58 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.9 179.33 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 m -98.09 -47.63 5.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.513 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 32.0 t80 -87.4 -66.99 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 18' ' ' HIS . 3.4 p -67.4 -19.15 65.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.513 ' CE1' ' O ' ' A' ' 16' ' ' TYR . 0.6 OUTLIER 28.79 49.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 t -72.93 177.0 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' SER . 4.1 pt-20 -115.36 -33.82 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 8.1 t -48.87 135.87 14.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.9 ttt -80.17 99.35 7.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.3 ptp -175.2 137.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.69 173.45 36.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -128.74 169.87 14.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HB2' ' CE2' ' A' ' 63' ' ' TRP . 13.9 ttt180 -80.75 113.8 19.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -115.49 117.53 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.2 ttt85 -105.85 129.61 53.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.3 t -50.9 162.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.49 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 28.3 mt-30 -70.33 -74.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.462 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 1.4 tp-100 -108.61 104.68 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.52 161.01 3.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -71.38 -71.8 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -135.02 87.04 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -133.22 102.57 5.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' OE1' ' CZ ' ' A' ' 26' ' ' ARG . 10.3 mt-30 -123.75 149.37 45.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HB3' ' CB ' ' A' ' 41' ' ' CYS . 44.1 mt -153.25 154.36 34.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.4 p -95.47 171.11 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.585 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 13.1 tt0 -42.79 -47.41 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -63.04 -61.89 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.428 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 32.9 m -43.28 -57.29 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -53.98 -56.88 13.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 39' ' ' GLN . 10.2 m0 -43.47 -53.06 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -63.9 -39.32 93.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.52 113.43 3.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -123.75 148.11 46.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.96 -177.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.81 179.24 48.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.32 -29.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' GLY . 11.2 t -91.47 -74.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 79.5 t60 -67.18 148.26 52.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -112.87 133.19 54.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -50.4 -25.2 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -73.24 -34.66 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.3 m170 -47.04 127.07 9.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -82.43 164.26 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.9 mtp -126.63 140.15 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -108.25 151.62 25.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -90.13 134.78 34.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -142.03 129.93 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.8 m -96.18 86.72 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 63' ' ' TRP . 28.3 p -116.32 -43.58 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.597 ' CZ2' ' O ' ' A' ' 13' ' ' GLU . 40.5 m0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 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 1.452 -0.299 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 p -167.07 116.81 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 110.84 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -160.4 164.04 32.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.17 88.55 0.59 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.534 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -110.89 90.45 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t -50.1 132.3 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.99 -93.03 0.48 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.1 t -74.86 -57.47 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -144.91 153.52 41.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -80.43 118.11 70.88 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.82 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -179.76 3.16 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.709 2.272 . . . . 0.0 112.323 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.582 ' HA ' ' CE3' ' A' ' 63' ' ' TRP . 52.0 t -100.35 89.33 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -114.68 131.3 56.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t -79.88 173.57 12.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 t -96.9 -39.5 9.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -90.99 -70.74 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.8 p -69.11 -15.42 63.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 44.31 52.75 7.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 t -70.83 177.89 3.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -129.12 -32.28 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 t -57.08 140.35 49.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 23' ' ' MET . 6.1 ttt -63.8 -45.19 90.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' MET . 11.3 ttt -36.41 105.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.36 161.04 10.7 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 28.1 m-85 -131.85 170.39 14.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.581 ' HG3' ' CZ2' ' A' ' 63' ' ' TRP . 9.2 mtp180 -82.96 116.87 22.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 25' ' ' PHE . 38.9 m-85 -119.69 110.47 16.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.526 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 24.5 ttm180 -94.54 125.11 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.481 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.7 t -45.0 162.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.481 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 17.0 mt-30 -71.29 -73.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 9.3 tt0 -108.67 104.3 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.13 167.17 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -74.96 -75.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -134.84 87.52 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.3 t80 -133.25 102.89 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -121.25 142.64 49.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.1 mt -145.23 161.29 39.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.6 p -105.96 176.28 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -46.06 -50.19 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.3 -62.27 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.8 m -43.38 -44.3 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -63.39 -57.68 9.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -45.13 -45.19 11.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -75.21 -38.76 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.73 113.89 1.47 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -122.94 152.82 40.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.24 -175.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.67 176.33 47.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.88 -30.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' GLY . 49.0 m -92.48 -75.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 110.805 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 82.2 t60 -65.64 154.0 40.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.8 t -119.57 132.06 55.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -49.84 -24.5 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -75.09 -33.39 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 26.4 m170 -49.69 119.18 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.31 143.63 32.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.3 mmm -99.15 134.93 41.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -98.3 142.99 29.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -73.8 124.64 26.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.526 ' CE1' ' HB3' ' A' ' 28' ' ' ARG . 11.8 m-85 -117.28 122.35 43.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.8 p -79.76 80.97 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.447 ' OG ' ' CZ ' ' A' ' 26' ' ' ARG . 44.1 t -104.21 -60.02 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.85 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.582 ' CE3' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 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 -0.315 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' SER . 2.9 m 62.73 42.14 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.856 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' SER . 21.3 m 37.89 42.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.81 115.75 5.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -56.31 140.01 46.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.362 . . . . 0.0 110.902 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.1 m -85.95 119.34 26.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.62 101.33 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.443 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -107.8 168.59 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 111.097 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -90.18 -53.26 4.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -134.34 141.63 39.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.57 0.7 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 134.33 27.79 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.0 t -124.74 87.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -119.94 130.47 54.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.12 -175.97 1.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.437 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 6.8 t -99.84 -39.74 8.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -97.87 -67.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.93 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.1 p -68.26 -14.76 63.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 15' ' ' SER . 13.3 m-70 41.48 49.83 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -55.83 174.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' SER . 10.5 pt-20 -123.29 -42.22 2.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' GLU . 1.5 t -36.96 155.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.46 ' O ' ' C ' ' A' ' 23' ' ' MET . 2.1 tmt? -66.82 -39.64 87.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 22' ' ' MET . 56.3 mtp -33.49 110.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.33 -101.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 63.93 45.83 4.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -86.46 114.81 23.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.87 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -120.71 123.13 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -99.94 131.14 46.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 2.4 t -50.75 160.79 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 52.6 mt-30 -64.6 -76.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 23.3 tp60 -109.2 104.27 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.72 133.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -43.22 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -133.74 85.31 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.456 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.0 t80 -133.37 103.03 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -122.7 151.94 41.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.1 mt -150.71 149.65 30.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.0 p -98.97 176.94 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -46.61 -49.58 18.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -61.73 -59.76 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 m -39.89 -56.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.404 ' CE2' ' HG3' ' A' ' 57' ' ' MET . 0.2 OUTLIER -59.11 -51.29 70.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -45.6 -41.93 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -81.27 -38.74 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.95 111.63 2.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -123.54 142.15 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.51 -175.47 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 51' ' ' HIS . . . -179.93 -179.8 48.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.546 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.83 -28.18 0.65 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.0 m -90.49 -70.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.549 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 78.6 t60 -72.22 148.03 45.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 t -112.8 128.01 56.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -46.32 -27.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -70.42 -35.2 73.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.7 m170 -45.41 119.42 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -75.9 172.99 11.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.404 ' HG3' ' CE2' ' A' ' 42' ' ' PHE . 21.6 mtp -136.71 153.06 50.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -130.13 136.14 48.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.01 136.34 52.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -131.16 174.37 10.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.4 p -112.32 38.5 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.7 t -80.04 -58.86 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.415 ' C ' ' HD2' ' A' ' 26' ' ' ARG . 70.0 p-90 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -87.39 -60.83 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 t -151.41 150.97 31.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.02 78.24 1.35 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -80.74 -59.77 2.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.942 0.401 . . . . 0.0 110.84 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -160.59 153.28 20.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.95 103.01 0.92 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -91.93 39.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.102 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -108.62 -61.05 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -78.64 129.38 74.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.42 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.87 3.86 2.57 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.32 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.1 t -123.92 95.61 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -123.62 127.59 48.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.457 ' HB3' ' N ' ' A' ' 18' ' ' HIS . 3.9 t -71.81 174.22 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.2 t -105.55 -24.27 12.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.518 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 4.8 t80 -98.68 -53.33 3.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.565 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 19.6 p -103.84 1.68 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 1.1 p-80 30.92 54.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 t -80.51 162.16 24.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -116.55 -37.51 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -44.29 147.96 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.1 ttt -87.68 48.81 1.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -116.42 42.25 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.9 -170.33 38.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -151.49 -178.6 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.502 ' HD2' ' CD2' ' A' ' 63' ' ' TRP . 32.1 mmt-85 -84.5 106.94 16.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -118.34 108.11 14.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 4.6 tpp180 -102.56 132.62 48.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.6 t -54.14 158.81 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -68.74 -74.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.48 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 31.7 tp60 -108.15 104.57 14.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.64 150.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -57.33 -75.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.401 ' HA ' ' NH1' ' A' ' 28' ' ' ARG . 6.8 m-80 -134.94 89.03 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.595 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.1 t80 -130.95 102.58 6.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.498 ' HG2' ' CD1' ' A' ' 63' ' ' TRP . 30.5 mt-30 -121.28 141.18 51.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' HB3' ' CB ' ' A' ' 41' ' ' CYS . 26.0 mt -150.45 165.28 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.4 p -108.48 169.75 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 27.3 tt0 -41.1 -51.68 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -56.84 -61.56 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.472 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 15.9 m -40.8 -53.72 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.528 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 6.1 t80 -61.72 -52.76 62.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 39' ' ' GLN . 8.3 m0 -43.87 -41.45 5.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -79.03 -39.43 33.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.62 101.2 1.98 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.518 ' CE1' ' CE1' ' A' ' 16' ' ' TYR . 17.4 m170 -115.02 153.33 30.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.833 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.07 -177.14 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLY . . . -179.99 -179.81 48.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.89 -36.24 0.31 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.0 m -86.71 -73.6 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.595 ' CG ' ' CE2' ' A' ' 35' ' ' TYR . 76.3 t60 -69.96 139.02 52.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -107.54 134.39 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -50.31 -20.84 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -86.73 24.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 15.6 m170 -108.51 120.19 41.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -85.04 134.86 34.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.528 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 29.3 mtp -96.81 159.09 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -124.82 150.87 45.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -85.82 133.32 33.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 28' ' ' ARG . 21.5 m-85 -132.55 140.09 48.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.8 m -40.3 -53.28 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -162.87 119.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.502 ' CD2' ' HD2' ' A' ' 26' ' ' ARG . 24.9 m0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 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 -0.302 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m 55.54 42.26 29.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -77.95 172.74 13.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.24 82.9 1.7 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.4 p -129.42 91.6 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 p -122.2 105.21 10.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.86 -178.61 42.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.456 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.468 HG11 ' N ' ' A' ' 9' ' ' PHE . 8.0 p -65.76 -42.88 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 111.165 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.468 ' N ' HG11 ' A' ' 8' ' ' VAL . 27.1 m-85 -64.39 157.48 26.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -120.11 136.06 24.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.727 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 118.37 5.64 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.378 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 HG21 ' N ' ' A' ' 23' ' ' MET . 60.4 t -81.25 91.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -128.03 134.62 49.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.97 177.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.1 t -100.14 -31.83 11.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -97.3 -66.53 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' HIS . 15.9 p -80.2 8.17 7.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' CYS . 24.4 m80 35.71 46.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t -47.54 175.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 21' ' ' SER . 8.5 pt-20 -131.42 -36.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 20' ' ' GLU . 17.5 p -34.94 150.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.475 ' HG3' ' N ' ' A' ' 23' ' ' MET . 14.0 ptm -56.33 -176.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.475 ' N ' ' HG3' ' A' ' 22' ' ' MET . 0.1 OUTLIER -44.97 170.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.451 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . 102.69 148.01 19.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.451 ' CD2' ' O ' ' A' ' 24' ' ' GLY . 3.5 m-85 72.48 45.7 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -104.94 107.47 18.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -124.76 107.23 10.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -99.46 127.95 45.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 23.8 t -44.06 160.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 8.0 mt-30 -71.53 -73.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 30.7 tt0 -108.28 104.61 14.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.28 152.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -60.57 -74.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -135.0 87.2 2.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.428 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 3.9 t80 -133.55 102.73 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.633 ' NE2' ' CD1' ' A' ' 63' ' ' TRP . 45.1 mt-30 -123.55 138.24 54.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.438 ' CD1' ' HE1' ' A' ' 57' ' ' MET . 22.6 mt -141.42 157.97 44.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 39' ' ' GLN . 20.8 p -105.4 165.8 10.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' CYS . 10.0 tt0 -35.51 -52.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -57.38 -65.76 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 66.2 m -42.44 -47.79 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -61.84 -49.72 75.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -53.79 -45.49 70.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -69.58 -37.27 76.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.07 105.49 1.52 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.435 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -119.86 149.18 42.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.68 -178.26 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.79 176.59 47.63 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.02 -37.17 0.59 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.7 p -81.68 -66.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.826 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 66.7 t60 -79.27 131.36 36.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.7 t -97.23 139.15 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -55.47 -20.21 11.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -85.28 24.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 20.4 m170 -107.48 119.7 40.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -80.12 141.7 35.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.438 ' HE1' ' CD1' ' A' ' 37' ' ' LEU . 60.0 mmm -99.68 127.71 45.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -98.24 127.97 44.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -72.29 141.36 48.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 58' ' ' LYS . 82.2 m-85 -139.61 158.53 43.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.962 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.3 m -66.8 -51.69 52.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.9 m -138.31 155.85 48.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.633 ' CD1' ' NE2' ' A' ' 36' ' ' GLN . 9.5 m0 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -167.54 132.03 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -153.92 175.43 13.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.86 122.16 1.05 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.445 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -83.8 86.61 7.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -118.58 -57.4 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.45 54.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 9' ' ' PHE . 7.6 p -50.65 137.77 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 111.16 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.439 ' N ' HG22 ' A' ' 8' ' ' VAL . 44.8 m-85 -47.41 -49.82 24.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.4 ' CG ' ' C ' ' A' ' 9' ' ' PHE . 25.9 m-70 -155.89 143.19 13.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 108.52 2.1 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.718 2.279 . . . . 0.0 112.31 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.39 97.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -123.69 171.49 9.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -127.93 -175.07 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.2 p -95.11 -39.5 10.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -104.55 -73.66 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' HIS . 5.8 p -56.48 -19.35 14.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' CYS . 19.9 p80 33.69 45.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 m -62.07 177.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' ' 21' ' ' SER . 0.5 OUTLIER -130.31 -43.01 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.462 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 1.7 m -39.09 118.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.4 ttt -41.67 115.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.6 mtp -142.7 157.01 45.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.514 ' O ' ' CG ' ' A' ' 25' ' ' PHE . . . -121.66 87.03 0.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.417 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CE1' ' OE1' ' A' ' 39' ' ' GLN . 23.8 m-85 -160.79 119.3 2.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.465 ' HB3' ' NE1' ' A' ' 63' ' ' TRP . 23.3 mmt180 -132.66 108.18 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -119.88 110.55 16.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.52 126.73 45.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 8.5 t -49.98 162.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 27.9 mt-30 -71.96 -74.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.454 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.2 tp-100 -108.64 104.86 14.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.59 155.84 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -66.9 -71.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -133.9 86.08 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.434 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.2 t80 -133.42 102.09 5.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.571 ' HB3' ' CZ2' ' A' ' 63' ' ' TRP . 14.8 mp0 -126.73 120.27 28.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.1 mt -118.41 156.73 28.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 39' ' ' GLN . 20.7 p -100.71 165.29 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.598 ' OE1' ' CE1' ' A' ' 25' ' ' PHE . 20.9 tt0 -35.17 -59.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 41' ' ' CYS . 25.6 t0 -53.37 -66.16 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 40' ' ' ASP . 8.6 m -37.1 -50.07 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 11.2 t80 -63.55 -51.85 63.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -45.53 -44.36 12.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -80.26 -39.12 29.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.27 116.25 3.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -124.48 150.4 45.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.37 -176.57 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.65 -179.73 48.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.57 -28.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' GLY . 23.9 m -93.86 -75.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.585 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 83.2 t60 -64.98 153.67 39.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.8 t -119.09 137.58 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -53.1 -26.68 17.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.444 ' HG2' ' N ' ' A' ' 55' ' ' HIS . 1.9 pt20 -72.97 -34.78 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.2 m170 -48.6 118.36 2.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -75.59 158.02 33.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.472 ' HG3' ' CD1' ' A' ' 42' ' ' PHE . 45.1 mmm -120.88 119.49 32.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.83 144.86 25.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.37 131.04 38.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -121.92 176.51 5.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.4 m -62.55 -64.43 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 t -174.14 160.23 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.571 ' CZ2' ' HB3' ' A' ' 36' ' ' GLN . 5.2 p-90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.5 p -133.73 173.93 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 t -107.61 -51.39 2.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.53 154.4 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -173.96 138.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -73.2 88.94 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.34 -44.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.4 m -45.09 122.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 111.168 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 10' ' ' HIS . 48.4 p90 -87.39 -46.78 9.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 9' ' ' PHE . 15.8 m-70 -127.7 99.94 25.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 128.53 16.15 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -95.95 83.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.491 ' O ' ' CZ3' ' A' ' 63' ' ' TRP . 21.4 mp0 -127.74 139.82 52.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.88 178.57 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -107.21 -34.89 6.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.431 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 5.0 t80 -90.28 -61.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' HIS . 16.2 p -91.14 7.57 39.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' CYS . 16.4 p80 35.06 45.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 p -50.55 174.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -129.49 -35.5 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -45.13 119.56 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.9 ptp -109.64 84.97 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.576 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 7.2 ttm -125.92 -46.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.48 ' HA2' ' CZ ' ' A' ' 26' ' ' ARG . . . 154.26 59.54 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 23' ' ' MET . 3.2 m-85 -126.18 76.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.48 ' CZ ' ' HA2' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.35 110.46 10.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -125.85 119.93 29.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -97.35 134.59 40.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.51 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 5.9 t -54.91 162.85 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.51 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 51.3 mt-30 -70.06 -74.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 11.2 tp60 -109.07 104.8 14.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -173.98 162.29 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -70.94 -72.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.467 ' ND2' HE22 ' A' ' 36' ' ' GLN . 20.5 t-20 -134.98 89.52 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.406 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 6.3 t80 -133.92 102.4 5.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.467 HE22 ' ND2' ' A' ' 34' ' ' ASN . 1.5 mp0 -125.53 111.96 15.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.425 ' CG ' ' HE2' ' A' ' 57' ' ' MET . 80.9 mt -115.52 154.41 29.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.3 p -98.15 168.59 10.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -40.71 -53.11 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.33 -59.02 5.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.8 m -45.06 -52.58 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 8.3 t80 -61.38 -56.4 20.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.5 m0 -42.8 -41.24 3.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -77.82 -38.17 46.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.2 99.44 1.75 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.431 ' CE1' ' CE1' ' A' ' 16' ' ' TYR . 21.1 m170 -114.83 148.83 37.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.18 -178.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.97 179.68 48.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.89 -31.94 0.32 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.0 m -88.48 -70.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 75.2 t60 -76.52 139.53 40.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.552 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 8.0 t -102.49 134.51 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -53.53 -24.89 14.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -84.76 25.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 30.4 m170 -107.11 119.48 39.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -73.44 160.09 32.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.552 ' HG3' ' CD1' ' A' ' 42' ' ' PHE . 28.3 mmm -128.62 124.29 35.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -102.13 146.26 28.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 2.9 pt-20 -68.85 131.41 45.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 30.4 m-85 -151.2 108.94 3.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.8 m -71.26 77.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -134.16 28.53 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.491 ' CZ3' ' O ' ' A' ' 13' ' ' GLU . 5.9 m95 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 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 1.451 -0.303 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -141.44 119.17 11.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -155.68 121.99 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.02 103.32 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -146.04 158.29 43.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 m -68.84 176.82 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.95 -166.54 30.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -121.7 -42.34 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 111.146 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -71.81 147.11 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -114.58 147.81 38.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.602 0.715 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 90.26 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.727 2.285 . . . . 0.0 112.304 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.595 ' CG1' ' CE3' ' A' ' 63' ' ' TRP . 21.5 t -90.92 79.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -138.95 151.78 47.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.479 ' HB3' ' N ' ' A' ' 18' ' ' HIS . 3.2 t -85.99 177.26 7.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -92.84 -50.78 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -87.72 -72.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' HIS . 3.7 p -65.79 -14.2 60.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.479 ' N ' ' HB3' ' A' ' 14' ' ' CYS . 22.7 p80 34.1 54.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -70.17 -178.59 1.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 21' ' ' SER . 8.3 pt-20 -131.89 -30.26 1.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' GLU . 44.4 p -33.67 151.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.459 ' HE2' ' CG2' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -102.41 48.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.462 ' HG3' ' N ' ' A' ' 24' ' ' GLY . 2.5 ptt? -129.42 -41.39 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.492 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . -58.2 -172.88 0.36 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 14.9 m-85 -155.24 166.24 34.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.478 ' HB2' ' NE1' ' A' ' 63' ' ' TRP . 7.4 tpt180 -79.67 107.03 12.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 25' ' ' PHE . 51.7 m-85 -119.38 100.37 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -94.06 123.25 37.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.4 t -42.07 163.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 27.9 mt-30 -69.8 -74.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.438 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 3.3 tp-100 -108.53 104.8 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -173.28 162.06 4.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -73.24 -70.68 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -134.22 85.52 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.489 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.4 t80 -132.82 102.66 5.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -123.24 140.7 52.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.2 mt -147.47 168.08 22.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.422 ' SG ' ' OD2' ' A' ' 40' ' ' ASP . 17.5 p -107.37 174.31 5.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -43.76 -59.86 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -52.2 -64.36 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' ASP . 5.6 m -35.25 -49.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.531 ' CE1' ' HG2' ' A' ' 57' ' ' MET . 4.3 t80 -69.22 -50.83 43.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -43.45 -42.55 4.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -81.27 -38.86 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.47 111.97 3.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -122.1 156.47 33.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.18 -176.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' GLY . . . -179.74 179.61 48.82 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.88 -36.42 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.6 t -88.38 -75.7 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 67.5 t60 -64.45 145.82 55.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -110.23 151.28 27.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -65.03 -20.04 66.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -90.91 23.82 3.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.55 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 19.0 m170 -105.68 121.28 43.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -80.35 155.87 27.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.531 ' HG2' ' CE1' ' A' ' 42' ' ' PHE . 38.8 mmm -115.72 134.81 54.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -109.5 139.08 44.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -74.01 138.0 43.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -121.34 -75.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.7 m -74.8 -46.06 39.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.2 m 63.5 51.15 2.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.595 ' CE3' ' CG1' ' A' ' 12' ' ' VAL . 1.8 p-90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -173.07 159.51 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -173.46 156.99 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.56 161.82 26.58 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.528 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -147.72 123.9 10.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -158.05 144.13 17.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.41 154.08 6.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 9' ' ' PHE . 27.4 m -70.16 -44.16 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 8' ' ' VAL . 38.8 m-85 -34.43 134.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -101.76 96.79 6.96 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.719 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.43 24.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.742 2.295 . . . . 0.0 112.304 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.51 87.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -128.08 146.69 50.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -86.21 -178.45 6.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.5 t -102.6 -41.67 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 5.1 t80 -91.05 -69.61 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.1 p -67.62 -17.01 64.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 42.51 49.48 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 t -57.6 174.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 21' ' ' SER . 1.1 pm0 -125.9 -36.12 2.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.439 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 42.9 t -47.09 164.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.5 tpt -86.52 84.09 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.3 mmt -114.23 99.88 7.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.18 62.86 4.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -131.53 90.77 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -96.79 106.99 19.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -105.26 100.22 9.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.4 ttp85 -93.53 120.08 33.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 13.4 t -48.22 161.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.466 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 23.4 mt-30 -71.02 -73.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.8 tt0 -108.41 105.07 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.78 172.75 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.409 ' C ' ' OD1' ' A' ' 34' ' ' ASN . 21.7 m170 -81.97 -72.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 33' ' ' HIS . 5.2 m-20 -135.09 88.2 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.548 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.1 t80 -132.42 102.37 5.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -128.09 117.4 21.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.0 mt -117.44 164.61 14.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 p -106.52 174.13 6.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -44.65 -55.27 5.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' CYS . 29.9 t70 -56.67 -68.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' ASP . 7.7 m -33.84 -55.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -57.73 -51.25 70.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -48.16 -41.89 28.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 44' ' ' ARG . 2.2 mmp_? -78.47 -39.16 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.73 106.29 2.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -121.36 147.49 45.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.19 -178.74 1.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.67 178.9 48.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.49 -33.71 0.59 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.472 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -82.12 -65.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 76.8 t60 -85.91 134.49 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.487 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 43.5 t -98.68 128.89 45.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -48.3 -24.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -84.4 25.57 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 18.2 m170 -105.58 119.28 38.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -73.29 142.86 47.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.5 mmm -104.32 157.81 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -118.36 122.38 42.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.23 126.55 30.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -118.04 -175.3 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.2 p -61.32 -68.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.6 t -175.21 157.29 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.817 0.341 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.3 t -98.92 -37.73 9.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -98.59 -72.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.8 0.333 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -112.55 104.21 12.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.963 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -96.83 122.35 39.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 9.7 t -46.5 162.11 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.475 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 41.5 mt-30 -70.25 -73.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.456 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.2 tp-100 -108.18 104.61 14.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.57 168.1 3.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -79.86 -69.89 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -135.01 87.02 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.474 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.5 t80 -133.03 102.35 5.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -124.57 133.7 53.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.473 ' HB2' ' HE2' ' A' ' 57' ' ' MET . 77.7 mt -136.76 170.46 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.7 p -115.04 177.12 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -44.37 -54.03 6.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' CYS . 0.7 OUTLIER -55.63 -69.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' ASP . 59.1 m -37.02 -42.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -68.94 -52.86 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -46.62 -44.71 18.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -80.79 -38.89 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.2 118.53 2.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -125.14 157.61 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.3 -175.75 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.44 179.94 48.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.09 -35.63 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 t -87.15 -71.63 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.474 ' CG ' ' CE2' ' A' ' 35' ' ' TYR . 56.8 t-80 -71.41 136.96 47.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.7 t -105.84 136.19 45.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -51.03 -20.82 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -86.83 24.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 17.8 m170 -108.54 122.62 47.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -80.66 157.49 25.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.473 ' HE2' ' HB2' ' A' ' 37' ' ' LEU . 32.3 mmm -115.96 144.46 44.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -108.32 144.49 35.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.781 0.324 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t -104.1 -41.17 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -97.18 -73.02 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.777 0.322 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 12.7 m-85 -117.27 107.02 13.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -94.77 131.23 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.411 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 19.0 t -46.98 159.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 16.3 mt-30 -66.91 -74.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 16.0 tt0 -108.24 105.27 14.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.447 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.35 155.63 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -66.9 -73.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -132.06 83.64 2.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.53 ' CD2' ' CD2' ' A' ' 51' ' ' HIS . 3.9 t80 -132.84 102.55 5.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -123.43 142.02 51.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.452 HD12 ' CE ' ' A' ' 57' ' ' MET . 26.7 mt -148.87 172.43 14.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.9 p -113.47 176.92 4.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -48.62 -48.53 39.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -59.13 -63.81 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.424 ' HB3' HD22 ' A' ' 37' ' ' LEU . 34.2 m -43.03 -48.38 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.518 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 17.7 t80 -61.57 -53.35 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -46.2 -53.88 9.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -65.43 -39.29 91.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.11 112.85 2.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -124.49 155.25 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.31 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.25 -175.05 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.76 179.41 48.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.62 -31.24 0.39 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.5 m -91.32 -73.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.53 ' CD2' ' CD2' ' A' ' 35' ' ' TYR . 50.0 t-80 -66.36 150.85 48.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.528 ' O ' ' CE1' ' A' ' 51' ' ' HIS . 40.1 t -113.45 156.9 22.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -70.7 -23.06 62.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -89.8 24.84 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 0.3 OUTLIER -103.5 123.31 46.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -81.51 168.82 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.518 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 12.2 mtp -128.14 149.14 50.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -122.65 146.11 47.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.568 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 46.5 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.9 m -92.63 -60.43 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -73.91 -68.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 26' ' ' ARG . 2.6 tmm_? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.768 0.318 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -119.52 109.62 15.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -92.38 126.57 37.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 6.4 t -48.98 162.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.497 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 29.5 mt-30 -68.48 -74.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -108.76 104.69 14.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.15 159.11 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -71.73 -71.4 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -132.61 84.56 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.501 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 3.8 t80 -133.61 102.61 5.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -125.75 133.59 52.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' HB3' ' CB ' ' A' ' 41' ' ' CYS . 23.6 mt -138.5 160.25 40.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' GLN . 20.0 p -101.34 161.72 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' CYS . 3.5 tp-100 -34.95 -51.94 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -57.32 -62.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 18.2 m -41.29 -51.31 3.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.532 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 13.1 t80 -59.29 -54.91 41.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -46.94 -39.64 12.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -74.16 -39.19 63.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.6 94.9 1.74 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -110.99 142.5 43.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.82 -177.19 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.81 -179.91 48.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.7 -37.57 1.33 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.547 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 m -84.2 -72.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.915 0.388 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.501 ' CG ' ' CE2' ' A' ' 35' ' ' TYR . 53.4 t-80 -68.02 135.58 52.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.4 t -103.6 136.67 42.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -51.9 -20.63 2.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -87.5 24.51 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.425 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 16.7 m170 -107.28 123.34 48.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -79.33 171.97 14.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.532 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 13.0 mtp -132.78 146.78 52.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -115.28 149.28 38.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.6 m -108.05 -40.35 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -90.67 -65.83 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.813 0.339 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -114.3 102.83 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -94.71 126.69 40.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 13.8 t -46.85 160.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 10.2 mt-30 -69.88 -73.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.463 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 32.1 tp60 -108.43 104.63 14.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.33 156.33 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.2 -72.66 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -134.96 86.19 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -133.4 102.7 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.422 HE21 ' HB2' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -123.33 142.39 51.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -147.55 162.55 38.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.8 p -104.74 170.02 8.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -42.08 -49.01 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -59.53 -62.69 1.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 m -40.57 -46.15 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.405 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 14.1 t80 -63.43 -53.8 46.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -47.06 -53.62 12.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -65.12 -37.76 88.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.79 110.69 2.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -123.81 149.03 46.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.08 -176.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.85 -179.95 48.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.03 -34.09 1.35 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.1 m -85.69 -71.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -70.75 139.37 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.1 t -107.3 139.08 42.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -55.58 -21.18 16.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -86.24 24.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -108.1 120.4 42.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -79.89 141.46 36.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.405 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 23.2 mtp -103.34 135.07 45.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -101.26 142.89 32.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.813 0.34 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -83.44 -34.97 25.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.807 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -109.46 -65.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.844 0.354 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 59' ' ' GLU . 1.9 m-85 -113.0 97.45 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -84.82 122.41 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.479 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 12.5 t -50.23 162.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 25.9 mt-30 -71.14 -74.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 26.6 tp60 -108.47 104.88 14.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.22 170.2 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -78.46 -75.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -134.96 85.81 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -133.5 102.28 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -127.37 123.91 37.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.8 mt -130.68 177.78 7.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.482 ' O ' ' C ' ' A' ' 39' ' ' GLN . 21.5 p -108.94 149.7 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 38' ' ' CYS . 11.5 tt0 -31.83 -53.64 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -52.0 -57.79 8.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.7 m -49.93 -51.25 42.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 5.6 t80 -52.99 -56.16 18.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -50.97 -44.86 60.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -61.24 -39.32 89.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.64 96.8 2.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.98 141.68 51.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.62 -174.99 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 50' ' ' SER . . . 179.86 178.67 48.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.475 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.69 -31.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' GLY . 3.2 m -93.82 -75.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.829 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -67.05 144.17 56.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.9 t -112.24 153.11 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -66.71 -16.04 63.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.71 23.74 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.36 121.17 42.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.442 ' HB2' ' CD ' ' A' ' 30' ' ' GLN . 12.2 mm100 -75.12 160.52 30.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.569 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 19.6 mtp -131.76 141.73 49.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -101.78 122.41 43.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . 1.5 pm0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -95.57 -41.1 9.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -94.15 -70.17 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -122.31 110.75 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -102.93 127.75 50.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.816 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 10.5 t -50.47 159.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.44 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 23.8 mt-30 -67.97 -73.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 1.2 tm0? -108.34 105.26 14.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.4 m -175.22 153.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -65.21 -72.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.69 85.31 2.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.494 ' CZ ' ' CG ' ' A' ' 51' ' ' HIS . 12.0 t80 -133.09 102.14 5.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.428 ' O ' HD23 ' A' ' 37' ' ' LEU . 26.2 mp0 -127.59 138.77 52.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 36' ' ' GLN . 96.3 mt -139.64 162.92 33.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.1 p -100.9 172.35 7.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.17 -51.85 7.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' CYS . 42.1 t0 -58.78 -64.42 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.414 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 5.3 m -36.6 -54.13 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -58.26 -59.45 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -41.09 -46.75 3.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -73.1 -39.38 65.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.82 110.07 2.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.06 149.52 44.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.43 -175.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.6 -179.85 48.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.87 -30.05 0.33 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.537 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.7 m -90.68 -73.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.494 ' CG ' ' CZ ' ' A' ' 35' ' ' TYR . 52.6 t-80 -70.11 147.77 49.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 t -110.5 139.61 45.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -56.21 -25.08 45.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -74.24 -34.58 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -47.88 120.77 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -81.87 149.97 28.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.6 mmm -105.69 147.22 28.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -117.32 149.74 39.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.856 0.36 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -114.88 -35.19 4.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -87.97 -44.54 10.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.832 0.349 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -119.77 117.73 28.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -104.39 136.02 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 9.7 t -61.7 159.65 13.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.443 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 10.6 mt-30 -66.71 -76.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.467 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 8.4 tp60 -108.48 105.03 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.06 150.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -59.22 -75.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -132.66 87.68 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.686 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 3.2 t80 -133.59 102.58 5.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -128.65 125.07 37.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.515 HD12 ' SD ' ' A' ' 57' ' ' MET . 66.2 mt -127.57 167.61 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.2 p -114.03 167.22 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -38.38 -54.54 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -60.24 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.8 m -46.7 -64.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 2.9 t80 -47.23 -56.46 6.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -45.41 -44.6 12.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -72.91 -37.89 67.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.73 100.51 1.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -121.13 140.3 52.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.342 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -172.07 -176.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.75 178.58 48.66 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.35 -29.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.466 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' GLY . 20.8 m -88.76 -70.34 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.888 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.686 ' CG ' ' CE2' ' A' ' 35' ' ' TYR . 51.8 t-80 -81.1 141.92 33.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.7 t -105.35 128.05 53.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.63 -31.44 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.4 -34.95 79.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -47.13 116.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -84.31 136.09 34.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.515 ' SD ' HD12 ' A' ' 37' ' ' LEU . 28.8 mtp -104.11 137.45 42.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -107.67 158.25 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.801 0.334 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.4 t -92.13 -31.94 15.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -113.42 -71.34 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.957 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.795 0.331 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -108.29 104.32 13.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -98.56 123.52 42.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.493 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 6.5 t -44.77 162.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 36.0 mt-30 -69.11 -74.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 22.7 tt0 -108.47 104.55 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.02 158.48 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -68.54 -72.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -134.92 86.68 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -133.37 102.55 5.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.449 ' O ' HD23 ' A' ' 37' ' ' LEU . 38.8 mt-30 -123.79 146.57 48.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 36' ' ' GLN . 96.7 mt -149.65 165.82 31.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.15 176.9 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -47.84 -51.52 22.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -61.32 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.407 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 20.8 m -41.49 -48.69 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.476 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 7.0 t80 -63.46 -58.86 5.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -41.14 -41.92 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -80.64 -38.38 29.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.33 116.16 2.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -123.39 149.75 44.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.16 -176.85 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.65 177.13 48.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -37.99 -28.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' GLY . 15.7 m -93.17 -75.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.383 . . . . 0.0 110.87 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 52' ' ' SER . 50.6 t-80 -67.26 153.66 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.491 ' O ' ' CE1' ' A' ' 51' ' ' HIS . 32.1 t -114.16 148.69 36.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -63.9 -25.34 68.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -75.59 -32.58 60.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 19.1 m170 -48.38 125.89 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -81.65 171.53 14.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.476 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 12.9 mtp -130.73 134.63 47.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -101.01 149.74 23.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.828 0.347 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 t -91.85 -39.42 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -101.39 -73.07 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.803 0.335 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -125.54 120.42 30.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -103.64 146.3 28.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 3.3 t -65.46 161.85 19.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.506 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 22.3 mt-30 -67.4 -76.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.459 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 23.1 tp60 -108.94 104.27 13.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.459 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.44 149.18 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -58.62 -75.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.444 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -132.76 86.76 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.536 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 10.8 t80 -132.73 102.45 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.447 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -123.64 151.48 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.675 HD12 ' HE2' ' A' ' 57' ' ' MET . 87.2 mt -152.06 163.03 40.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.6 p -102.92 176.88 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -48.31 -50.83 28.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -58.75 -65.37 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.8 m -37.85 -51.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 8.6 t80 -60.35 -53.15 61.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -47.43 -46.67 26.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -73.62 -38.34 65.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.18 108.47 1.68 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.441 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.65 151.1 40.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.795 0.331 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.6 -175.03 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.27 179.13 48.92 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.423 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -41.75 -29.95 0.57 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 m -89.17 -70.37 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 110.88 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.536 ' CG ' ' CE2' ' A' ' 35' ' ' TYR . 51.6 t-80 -74.43 143.62 44.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.406 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 11.2 t -104.91 135.32 46.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -54.34 -29.67 48.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -67.68 -34.3 76.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.406 ' CD2' ' HB3' ' A' ' 52' ' ' SER . 37.2 m170 -49.27 119.56 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -79.13 156.66 28.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.675 ' HE2' HD12 ' A' ' 37' ' ' LEU . 20.4 mmm -122.68 132.32 54.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -116.51 156.57 26.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.8 0.333 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 m -94.4 -31.67 13.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -109.35 -73.76 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.847 0.356 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -112.47 111.66 22.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.53 123.34 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.1 t -45.58 161.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.477 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 47.4 mt-30 -68.63 -74.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 4.3 tp60 -108.55 104.52 13.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.6 167.61 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -76.65 -74.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -131.94 88.71 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -132.99 102.4 5.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.507 ' O ' HD23 ' A' ' 37' ' ' LEU . 29.0 mt-30 -123.86 143.65 50.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 36' ' ' GLN . 80.6 mt -150.4 157.18 42.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 p -98.64 176.77 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -46.11 -48.77 17.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.68 -64.35 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 24.6 m -38.79 -50.79 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -60.42 -60.93 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -43.6 -42.64 5.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -71.6 -38.31 70.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.33 111.29 2.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . 7.1 m170 -121.96 144.86 48.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.769 0.318 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.69 -177.59 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.76 178.39 48.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.56 -28.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.526 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 48' ' ' GLY . 22.6 t -94.79 -73.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 54.3 t-80 -68.66 150.99 47.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.1 t -114.93 132.44 56.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -49.28 -22.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -76.5 -34.01 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.427 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 17.6 m170 -48.62 122.95 6.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 57' ' ' MET . 33.6 tp60 -78.85 160.44 27.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.433 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 47.5 mmm -119.21 133.2 55.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -94.84 144.2 25.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 t -102.5 -27.08 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -103.92 -71.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.445 ' NH1' ' HB2' ' A' ' 26' ' ' ARG . 3.4 ptm85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.336 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 82.6 m-85 -117.84 100.17 7.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -91.94 123.78 35.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 19.1 t -42.98 162.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.454 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 16.8 mt-30 -74.77 -71.47 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 5.3 tp60 -108.34 104.67 14.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.26 170.34 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -78.31 -73.7 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -134.91 87.55 2.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -133.31 102.65 5.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.433 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -123.8 137.71 54.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' A' ' 41' ' ' CYS . 93.7 mt -144.78 150.08 36.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.1 p -94.92 173.49 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.473 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 33.2 tt0 -45.59 -41.1 9.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -66.53 -64.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.542 ' HB3' HD22 ' A' ' 37' ' ' LEU . 65.6 m -45.38 -53.09 9.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -57.49 -61.82 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 39' ' ' GLN . 6.8 m95 -40.81 -43.37 2.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -70.26 -39.14 75.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.99 106.87 2.08 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.57 151.44 42.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.801 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.86 -176.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.85 179.91 48.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -41.11 -33.23 0.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.0 m -87.02 -68.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.438 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 53.6 t-80 -75.42 137.76 41.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -103.83 129.54 51.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -47.74 -25.23 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -84.03 25.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.438 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 0.3 OUTLIER -106.29 121.22 43.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -78.62 144.99 34.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.0 mtp -111.89 137.04 50.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -95.55 132.28 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 11.2 tm-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.831 0.348 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 m -98.09 -47.63 5.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -87.4 -66.99 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.444 ' CZ ' ' OE1' ' A' ' 36' ' ' GLN . 13.9 ttt180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.819 0.342 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -115.49 117.53 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.2 ttt85 -105.85 129.61 53.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.3 t -50.9 162.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.49 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 28.3 mt-30 -70.33 -74.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.457 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 1.4 tp-100 -108.61 104.68 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.457 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.52 161.01 3.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -71.38 -71.8 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -135.02 87.04 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -133.22 102.57 5.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' OE1' ' CZ ' ' A' ' 26' ' ' ARG . 10.3 mt-30 -123.75 149.37 45.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.454 HD22 ' HB3' ' A' ' 41' ' ' CYS . 44.1 mt -153.25 154.36 34.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.4 p -95.47 171.11 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.585 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 13.1 tt0 -42.79 -47.41 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -63.04 -61.89 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.454 ' HB3' HD22 ' A' ' 37' ' ' LEU . 32.9 m -43.28 -57.29 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -53.98 -56.88 13.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 39' ' ' GLN . 10.2 m0 -43.47 -53.06 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -63.9 -39.32 93.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.52 113.43 3.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.75 148.11 46.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.96 -177.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.81 179.24 48.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.32 -29.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' GLY . 11.2 t -91.47 -74.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -67.18 148.26 52.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -112.87 133.19 54.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -50.4 -25.2 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -73.24 -34.66 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -47.04 127.07 9.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -82.43 164.26 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.9 mtp -126.63 140.15 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -108.25 151.62 25.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 t -96.9 -39.5 9.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -90.99 -70.74 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.8 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.792 0.329 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -119.69 110.47 16.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 -94.54 125.11 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.481 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.7 t -45.0 162.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.481 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 17.0 mt-30 -71.29 -73.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 9.3 tt0 -108.67 104.3 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.13 167.17 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -74.96 -75.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -134.84 87.52 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -133.25 102.89 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.422 ' O ' HD23 ' A' ' 37' ' ' LEU . 24.7 mt-30 -121.25 142.64 49.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 36' ' ' GLN . 85.1 mt -145.23 161.29 39.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.6 p -105.96 176.28 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -46.06 -50.19 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.3 -62.27 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.8 m -43.38 -44.3 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -63.39 -57.68 9.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -45.13 -45.19 11.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -75.21 -38.76 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.73 113.89 1.47 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -122.94 152.82 40.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.24 -175.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.67 176.33 47.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.88 -30.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' GLY . 49.0 m -92.48 -75.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 110.805 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -65.64 154.0 40.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.8 t -119.57 132.06 55.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -49.84 -24.5 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -75.09 -33.39 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -49.69 119.18 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.31 143.63 32.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.3 mmm -99.15 134.93 41.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -98.3 142.99 29.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.858 0.361 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t -99.84 -39.74 8.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -97.87 -67.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.93 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.1 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -120.71 123.13 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -99.94 131.14 46.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 2.4 t -50.75 160.79 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 52.6 mt-30 -64.6 -76.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 23.3 tp60 -109.2 104.27 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.72 133.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -43.22 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -133.74 85.31 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.456 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.0 t80 -133.37 103.03 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.441 ' O ' HD23 ' A' ' 37' ' ' LEU . 49.2 mt-30 -122.7 151.94 41.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.576 HD12 ' SD ' ' A' ' 57' ' ' MET . 45.1 mt -150.71 149.65 30.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.0 p -98.97 176.94 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -46.61 -49.58 18.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -61.73 -59.76 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 m -39.89 -56.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -51.29 70.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -45.6 -41.93 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -81.27 -38.74 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.95 111.63 2.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.54 142.15 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.51 -175.47 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 51' ' ' HIS . . . -179.93 -179.8 48.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.546 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.83 -28.18 0.65 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.0 m -90.49 -70.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.456 ' CG ' ' CE2' ' A' ' 35' ' ' TYR . 51.6 t-80 -72.22 148.03 45.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 t -112.8 128.01 56.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -46.32 -27.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -70.42 -35.2 73.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -45.41 119.42 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -75.9 172.99 11.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.576 ' SD ' HD12 ' A' ' 37' ' ' LEU . 21.6 mtp -136.71 153.06 50.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -130.13 136.14 48.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.2 t -105.55 -24.27 12.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.518 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 4.8 t80 -98.68 -53.33 3.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.1 mmt-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.811 0.339 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -118.34 108.11 14.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.412 ' NH1' ' HA ' ' A' ' 34' ' ' ASN . 4.6 tpp180 -102.56 132.62 48.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.6 t -54.14 158.81 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -68.74 -74.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.474 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 31.7 tp60 -108.15 104.57 14.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.64 150.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -57.33 -75.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' HA ' ' NH1' ' A' ' 28' ' ' ARG . 9.2 m120 -134.94 89.03 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.595 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.1 t80 -130.95 102.58 6.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -121.28 141.18 51.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.729 HD12 ' SD ' ' A' ' 57' ' ' MET . 26.0 mt -150.45 165.28 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.4 p -108.48 169.75 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 27.3 tt0 -41.1 -51.68 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -56.84 -61.56 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.477 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 15.9 m -40.8 -53.72 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.528 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 6.1 t80 -61.72 -52.76 62.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 39' ' ' GLN . 8.3 m0 -43.87 -41.45 5.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -79.03 -39.43 33.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.62 101.2 1.98 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.518 ' CE1' ' CE1' ' A' ' 16' ' ' TYR . 17.4 m170 -115.02 153.33 30.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.833 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.07 -177.14 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLY . . . -179.99 -179.81 48.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.89 -36.24 0.31 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.0 m -86.71 -73.6 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.595 ' CG ' ' CE2' ' A' ' 35' ' ' TYR . 56.3 t-80 -69.96 139.02 52.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -107.54 134.39 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -50.31 -20.84 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -86.73 24.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 15.6 m170 -108.51 120.19 41.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -85.04 134.86 34.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.729 ' SD ' HD12 ' A' ' 37' ' ' LEU . 29.3 mtp -96.81 159.09 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -124.82 150.87 45.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.1 t -100.14 -31.83 11.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -97.3 -66.53 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.9 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -124.76 107.23 10.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -99.46 127.95 45.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 23.8 t -44.06 160.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.416 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 8.0 mt-30 -71.53 -73.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 30.7 tt0 -108.28 104.61 14.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.28 152.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -60.57 -74.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -135.0 87.2 2.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.428 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 3.9 t80 -133.55 102.73 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -123.55 138.24 54.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.486 HD12 ' CE ' ' A' ' 57' ' ' MET . 22.6 mt -141.42 157.97 44.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 39' ' ' GLN . 20.8 p -105.4 165.8 10.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' CYS . 10.0 tt0 -35.51 -52.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -57.38 -65.76 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 66.2 m -42.44 -47.79 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -61.84 -49.72 75.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -53.79 -45.49 70.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -69.58 -37.27 76.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.07 105.49 1.52 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.435 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -119.86 149.18 42.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.68 -178.26 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.79 176.59 47.63 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.02 -37.17 0.59 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.7 p -81.68 -66.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.826 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.428 ' CG ' ' CE2' ' A' ' 35' ' ' TYR . 45.9 t-80 -79.27 131.36 36.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.7 t -97.23 139.15 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -55.47 -20.21 11.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -85.28 24.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.407 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 20.4 m170 -107.48 119.7 40.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -80.12 141.7 35.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.486 ' CE ' HD12 ' A' ' 37' ' ' LEU . 60.0 mmm -99.68 127.71 45.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.24 127.97 44.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.2 p -95.11 -39.5 10.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -104.55 -73.66 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.8 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.862 0.363 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -119.88 110.55 16.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.52 126.73 45.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 8.5 t -49.98 162.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 27.9 mt-30 -71.96 -74.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.2 tp-100 -108.64 104.86 14.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.59 155.84 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -66.9 -71.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -133.9 86.08 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.407 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.2 t80 -133.42 102.09 5.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 -126.73 120.27 28.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.1 mt -118.41 156.73 28.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 39' ' ' GLN . 20.7 p -100.71 165.29 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 38' ' ' CYS . 20.9 tt0 -35.17 -59.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 41' ' ' CYS . 25.6 t0 -53.37 -66.16 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 40' ' ' ASP . 8.6 m -37.1 -50.07 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.495 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 11.2 t80 -63.55 -51.85 63.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -45.53 -44.36 12.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -80.26 -39.12 29.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.27 116.25 3.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.48 150.4 45.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.37 -176.57 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.65 -179.73 48.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.57 -28.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' GLY . 23.9 m -93.86 -75.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.407 ' CG ' ' CE2' ' A' ' 35' ' ' TYR . 54.7 t-80 -64.98 153.67 39.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.8 t -119.09 137.58 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -53.1 -26.68 17.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.458 ' HG2' ' N ' ' A' ' 55' ' ' HIS . 1.9 pt20 -72.97 -34.78 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.458 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 0.5 OUTLIER -48.6 118.36 2.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -75.59 158.02 33.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.495 ' HG3' ' CD1' ' A' ' 42' ' ' PHE . 45.1 mmm -120.88 119.49 32.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.83 144.86 25.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -107.21 -34.89 6.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.431 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 5.0 t80 -90.28 -61.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.828 0.347 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -125.85 119.93 29.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -97.35 134.59 40.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.51 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 5.9 t -54.91 162.85 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.51 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 22.6 mt-30 -70.06 -74.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 11.2 tp60 -109.07 104.8 14.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -173.98 162.29 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -70.94 -72.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -134.98 89.52 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.426 ' CD2' ' CD2' ' A' ' 51' ' ' HIS . 6.3 t80 -133.92 102.4 5.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -125.53 111.96 15.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.464 ' HG ' ' HE1' ' A' ' 57' ' ' MET . 80.9 mt -115.52 154.41 29.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.3 p -98.15 168.59 10.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -40.71 -53.11 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.33 -59.02 5.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.8 m -45.06 -52.58 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.574 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 8.3 t80 -61.38 -56.4 20.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.5 m0 -42.8 -41.24 3.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -77.82 -38.17 46.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.2 99.44 1.75 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.431 ' CE1' ' CE1' ' A' ' 16' ' ' TYR . 21.1 m170 -114.83 148.83 37.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.18 -178.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.97 179.68 48.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.89 -31.94 0.32 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.0 m -88.48 -70.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 53.0 t-80 -76.52 139.53 40.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.569 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 8.0 t -102.49 134.51 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -53.53 -24.89 14.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -84.76 25.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 52' ' ' SER . 30.4 m170 -107.11 119.48 39.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -73.44 160.09 32.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.574 ' HG3' ' CD1' ' A' ' 42' ' ' PHE . 28.3 mmm -128.62 124.29 35.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -102.13 146.26 28.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.809 0.338 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -92.84 -50.78 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -87.72 -72.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.413 ' O ' ' HE3' ' A' ' 57' ' ' MET . 51.7 m-85 -119.38 100.37 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -94.06 123.25 37.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.4 t -42.07 163.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 27.9 mt-30 -69.8 -74.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.438 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 3.3 tp-100 -108.53 104.8 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -173.28 162.06 4.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -73.24 -70.68 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -134.22 85.52 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.489 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.4 t80 -132.82 102.66 5.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -123.24 140.7 52.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.2 mt -147.47 168.08 22.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.569 ' HG ' ' CG ' ' A' ' 40' ' ' ASP . 17.5 p -107.37 174.31 5.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -43.76 -59.86 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.569 ' CG ' ' HG ' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -52.2 -64.36 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' ASP . 5.6 m -35.25 -49.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.555 ' CE1' ' HG2' ' A' ' 57' ' ' MET . 4.3 t80 -69.22 -50.83 43.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -43.45 -42.55 4.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -81.27 -38.86 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.47 111.97 3.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.1 156.47 33.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.18 -176.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' GLY . . . -179.74 179.61 48.82 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.88 -36.42 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.6 t -88.38 -75.7 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 55.5 t-80 -64.45 145.82 55.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -110.23 151.28 27.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -65.03 -20.04 66.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -90.91 23.82 3.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 19.0 m170 -105.68 121.28 43.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -80.35 155.87 27.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.555 ' HG2' ' CE1' ' A' ' 42' ' ' PHE . 38.8 mmm -115.72 134.81 54.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -109.5 139.08 44.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' CD ' ' H ' ' A' ' 59' ' ' GLU . 2.5 pm0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.868 0.365 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.5 t -102.6 -41.67 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 5.1 t80 -91.05 -69.61 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.876 0.37 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -105.26 100.22 9.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.4 ttp85 -93.53 120.08 33.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 13.4 t -48.22 161.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.466 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 23.4 mt-30 -71.02 -73.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.462 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.8 tt0 -108.41 105.07 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.78 172.75 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.409 ' C ' ' OD1' ' A' ' 34' ' ' ASN . 21.7 m170 -81.97 -72.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 33' ' ' HIS . 5.2 m-20 -135.09 88.2 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.48 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.1 t80 -132.42 102.37 5.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -128.09 117.4 21.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.0 mt -117.44 164.61 14.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 p -106.52 174.13 6.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -44.65 -55.27 5.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' CYS . 29.9 t70 -56.67 -68.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' ASP . 7.7 m -33.84 -55.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -57.73 -51.25 70.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -48.16 -41.89 28.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.471 ' CZ ' ' HA ' ' A' ' 44' ' ' ARG . 2.2 mmp_? -78.47 -39.16 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.73 106.29 2.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.36 147.49 45.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.19 -178.74 1.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.67 178.9 48.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.49 -33.71 0.59 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.472 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -82.12 -65.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.48 ' CG ' ' CE2' ' A' ' 35' ' ' TYR . 50.5 t-80 -85.91 134.49 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.495 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 43.5 t -98.68 128.89 45.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -48.3 -24.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -84.4 25.57 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.495 ' CD2' ' HB3' ' A' ' 52' ' ' SER . 18.2 m170 -105.58 119.28 38.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -73.29 142.86 47.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.5 mmm -104.32 157.81 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -118.36 122.38 42.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -170.88 125.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -166.6 167.33 15.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.79 157.68 15.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -102.5 42.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -128.72 42.12 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.46 -88.53 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m -76.66 138.62 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.51 ' O ' ' CG ' ' A' ' 9' ' ' PHE . 1.7 p90 -137.12 119.71 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.446 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 11.7 m170 52.26 54.3 13.7 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 10' ' ' HIS . 54.3 Cg_endo -69.74 -175.81 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.654 HG13 ' CE2' ' A' ' 63' ' ' TRP . 98.8 t -71.98 89.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -121.13 133.84 55.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -67.75 179.15 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.3 t -98.92 -37.73 9.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -98.59 -72.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.4 p -64.52 -13.83 54.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 39.05 53.39 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.6 t -62.76 170.99 2.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -125.33 -44.05 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.8 t -54.98 144.62 22.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.5 mtp -93.14 78.95 4.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.6 mmm -128.44 -49.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.82 -171.15 23.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -140.42 179.46 6.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.559 ' HB2' ' CD1' ' A' ' 63' ' ' TRP . 1.7 tmm_? -84.1 107.49 16.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -112.55 104.21 12.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.963 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -96.83 122.35 39.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 9.7 t -46.5 162.11 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.475 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 41.5 mt-30 -70.25 -73.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.456 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.2 tp-100 -108.18 104.61 14.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.57 168.1 3.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -79.86 -69.89 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -135.01 87.02 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.519 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.5 t80 -133.03 102.35 5.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -124.57 133.7 53.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.473 ' HB2' ' HE2' ' A' ' 57' ' ' MET . 77.7 mt -136.76 170.46 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.7 p -115.04 177.12 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -44.37 -54.03 6.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' CYS . 0.7 OUTLIER -55.63 -69.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' ASP . 59.1 m -37.02 -42.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -68.94 -52.86 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -46.62 -44.71 18.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -80.79 -38.89 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.2 118.53 2.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -125.14 157.61 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.3 -175.75 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.44 179.94 48.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.09 -35.63 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 t -87.15 -71.63 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.594 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 77.0 t60 -71.41 136.96 47.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.7 t -105.84 136.19 45.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -51.03 -20.82 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -86.83 24.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 17.8 m170 -108.54 122.62 47.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -80.66 157.49 25.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.473 ' HE2' ' HB2' ' A' ' 37' ' ' LEU . 32.3 mmm -115.96 144.46 44.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -108.32 144.49 35.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -85.3 125.36 32.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -134.43 155.24 50.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.5 p -115.69 86.99 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 t -130.32 -49.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.654 ' CE2' HG13 ' A' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -154.33 166.37 33.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -107.22 141.62 38.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.57 -171.41 14.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -52.98 162.13 0.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.38 . . . . 0.0 110.885 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -131.74 86.73 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.82 -89.53 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.0 t -41.47 131.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -56.47 -49.6 74.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -92.93 150.62 39.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.582 0.706 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 121.42 8.11 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.377 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.855 HG13 ' HE1' ' A' ' 63' ' ' TRP . 96.9 t -93.42 86.46 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -119.16 159.98 22.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.557 ' HA ' ' CZ3' ' A' ' 63' ' ' TRP . 1.8 t -86.89 -176.81 5.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t -104.1 -41.17 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -97.18 -73.02 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 p -59.7 -17.39 34.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.3 m80 47.4 49.12 16.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.4 t -73.38 149.59 42.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -112.13 -47.51 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.6 t -53.18 131.3 36.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.5 mtt -71.89 89.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.4 ttm -108.69 -58.36 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.58 -125.58 5.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 9.9 m-85 -159.09 -177.57 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.486 ' HB3' ' CE2' ' A' ' 63' ' ' TRP . 3.6 ptp85 -83.85 107.05 16.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 12.7 m-85 -117.27 107.02 13.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.581 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 31.2 ttm180 -94.77 131.23 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.411 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 19.0 t -46.98 159.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 16.3 mt-30 -66.91 -74.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 16.0 tt0 -108.24 105.27 14.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.35 155.63 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -66.9 -73.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -132.06 83.64 2.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.506 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 3.9 t80 -132.84 102.55 5.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -123.43 142.02 51.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD12 ' CE ' ' A' ' 57' ' ' MET . 26.7 mt -148.87 172.43 14.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.9 p -113.47 176.92 4.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -48.62 -48.53 39.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -59.13 -63.81 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.424 ' HB3' HD22 ' A' ' 37' ' ' LEU . 34.2 m -43.03 -48.38 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.518 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 17.7 t80 -61.57 -53.35 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -46.2 -53.88 9.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -65.43 -39.29 91.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.11 112.85 2.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -124.49 155.25 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.31 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.25 -175.05 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.76 179.41 48.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.62 -31.24 0.39 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.5 m -91.32 -73.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 63.3 t60 -66.36 150.85 48.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.422 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 40.1 t -113.45 156.9 22.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -70.7 -23.06 62.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -89.8 24.84 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.55 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 14.2 m170 -103.5 123.31 46.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -81.51 168.82 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.518 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 12.2 mtp -128.14 149.14 50.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -122.65 146.11 47.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.568 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 46.5 mt-10 -77.21 131.81 38.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 28' ' ' ARG . 21.9 m-85 -117.04 175.14 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.8 p -92.72 -46.16 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.3 m -116.55 132.05 56.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.855 ' HE1' HG13 ' A' ' 12' ' ' VAL . 44.6 m95 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 m -133.36 -60.13 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.904 0.383 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -45.0 154.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.54 -139.98 2.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -76.59 -60.32 2.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 t -118.65 140.19 50.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.02 55.7 1.83 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 8' ' ' VAL . 10.2 p -89.2 127.1 42.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.133 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -140.38 161.95 36.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -44.68 150.29 0.71 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.545 0.688 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 6.35 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.733 2.289 . . . . 0.0 112.351 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.613 HG13 ' CZ3' ' A' ' 63' ' ' TRP . 58.2 t -125.27 98.3 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -132.02 169.09 16.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' HB3' ' N ' ' A' ' 18' ' ' HIS . 1.8 t -115.65 175.33 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.9 m -92.63 -60.43 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -73.91 -68.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 18' ' ' HIS . 1.9 p -68.55 -18.9 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.456 ' C ' ' O ' ' A' ' 17' ' ' CYS . 34.8 p80 33.72 46.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.7 p -74.89 -175.37 2.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 21' ' ' SER . 0.8 OUTLIER -129.93 -39.4 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.425 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 1.8 m -51.77 128.69 24.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.58 82.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.3 tpt -134.35 84.55 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.39 -158.55 18.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -147.19 177.9 8.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.574 ' HG2' ' CZ2' ' A' ' 63' ' ' TRP . 2.6 tmm_? -80.64 118.66 22.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -119.52 109.62 15.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -92.38 126.57 37.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 6.4 t -48.98 162.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.497 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 29.5 mt-30 -68.48 -74.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -108.76 104.69 14.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.15 159.11 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -71.73 -71.4 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -132.61 84.56 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.501 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 3.8 t80 -133.61 102.61 5.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -125.75 133.59 52.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' HB3' ' CB ' ' A' ' 41' ' ' CYS . 23.6 mt -138.5 160.25 40.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' GLN . 20.0 p -101.34 161.72 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' CYS . 3.5 tp-100 -34.95 -51.94 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -57.32 -62.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 18.2 m -41.29 -51.31 3.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.532 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 13.1 t80 -59.29 -54.91 41.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -46.94 -39.64 12.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -74.16 -39.19 63.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.6 94.9 1.74 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -110.99 142.5 43.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.82 -177.19 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.81 -179.91 48.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.7 -37.57 1.33 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.547 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 m -84.2 -72.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.915 0.388 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 72.9 t60 -68.02 135.58 52.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.4 t -103.6 136.67 42.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -51.9 -20.63 2.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -87.5 24.51 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 16.7 m170 -107.28 123.34 48.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -79.33 171.97 14.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.532 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 13.0 mtp -132.78 146.78 52.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -115.28 149.28 38.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -77.54 134.98 38.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -155.4 168.94 25.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.95 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 61' ' ' THR . 7.4 t -132.58 100.12 4.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.42 ' HB2' ' NH2' ' A' ' 26' ' ' ARG . 7.2 t -110.08 -46.22 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.613 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 4.6 m0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -113.95 108.32 16.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.877 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -134.37 -61.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.31 -85.78 0.2 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 m 53.62 41.92 31.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.844 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -132.53 147.47 52.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.25 -162.89 26.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.557 HG23 ' N ' ' A' ' 9' ' ' PHE . 25.0 m -64.8 -50.01 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 0.0 111.195 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.557 ' N ' HG23 ' A' ' 8' ' ' VAL . 72.4 m-85 -146.06 135.4 22.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -82.01 140.56 46.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.552 0.691 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 154.27 67.87 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.483 HG11 ' O ' ' A' ' 22' ' ' MET . 90.3 t -53.05 92.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.583 ' O ' ' CZ3' ' A' ' 63' ' ' TRP . 17.1 mt-10 -123.15 138.94 54.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.403 ' HA ' ' CZ2' ' A' ' 63' ' ' TRP . 1.8 t -81.13 -178.7 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.6 m -108.05 -40.35 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -90.67 -65.83 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.9 p -72.49 -16.8 61.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 44.88 51.91 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.3 t -66.27 172.42 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -123.57 -48.26 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' MET . 7.7 t -46.32 128.26 9.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.483 ' O ' HG11 ' A' ' 12' ' ' VAL . 6.4 tpt -37.18 -48.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -41.37 137.33 1.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.63 104.83 2.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -84.15 179.68 7.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.892 0.377 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.534 ' HG2' ' CE2' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -91.06 107.52 19.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -114.3 102.83 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -94.71 126.69 40.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 13.8 t -46.85 160.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 10.2 mt-30 -69.88 -73.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 32.1 tp60 -108.43 104.63 14.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.33 156.33 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.2 -72.66 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -134.96 86.19 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -133.4 102.7 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.422 HE21 ' HB2' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -123.33 142.39 51.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -147.55 162.55 38.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.8 p -104.74 170.02 8.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -42.08 -49.01 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -59.53 -62.69 1.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 m -40.57 -46.15 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.405 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 14.1 t80 -63.43 -53.8 46.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -47.06 -53.62 12.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -65.12 -37.76 88.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.79 110.69 2.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -123.81 149.03 46.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.08 -176.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.85 -179.95 48.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.03 -34.09 1.35 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.1 m -85.69 -71.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 82.3 t60 -70.75 139.37 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.1 t -107.3 139.08 42.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -55.58 -21.18 16.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -86.24 24.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 20.6 m170 -108.1 120.4 42.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -79.89 141.46 36.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.405 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 23.2 mtp -103.34 135.07 45.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -101.26 142.89 32.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -89.58 123.22 33.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -114.86 160.37 19.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.6 m -40.76 -64.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.164 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.4 p -174.87 156.1 2.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.583 ' CZ3' ' O ' ' A' ' 13' ' ' GLU . 9.1 m-90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 t -140.18 168.78 19.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -171.02 119.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.09 159.65 2.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.511 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 p -129.24 126.71 39.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.825 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p -171.94 131.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.09 -129.42 2.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 8' ' ' VAL . 24.5 m -118.22 82.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.859 0.362 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -140.57 156.51 46.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -100.2 153.81 37.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.807 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 86.19 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.445 HG11 ' HA ' ' A' ' 23' ' ' MET . 61.3 t -133.11 89.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -131.48 141.85 49.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.446 ' H ' ' N ' ' A' ' 19' ' ' SER . 3.8 t -52.99 175.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -83.44 -34.97 25.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.807 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -109.46 -65.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' HIS . 4.8 p -68.21 -2.04 7.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' CYS . 30.9 p80 35.32 53.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.446 ' N ' ' H ' ' A' ' 14' ' ' CYS . 8.1 t -50.59 -177.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 21' ' ' SER . 2.9 pp20? -127.29 -28.24 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 20' ' ' GLU . 74.4 p -33.88 137.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 23' ' ' MET . 37.8 tpp -53.51 169.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.445 ' HA ' HG11 ' A' ' 12' ' ' VAL . 5.1 tpt -36.19 152.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.462 ' C ' ' CG ' ' A' ' 25' ' ' PHE . . . 102.2 161.33 26.37 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.745 ' CG ' ' CE3' ' A' ' 63' ' ' TRP . 0.7 OUTLIER 73.86 54.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -117.25 128.61 55.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 59' ' ' GLU . 1.9 m-85 -113.0 97.45 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -84.82 122.41 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.479 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 12.5 t -50.23 162.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 25.9 mt-30 -71.14 -74.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 26.6 tp60 -108.47 104.88 14.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.22 170.2 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -78.46 -75.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -134.96 85.81 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -133.5 102.28 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -127.37 123.91 37.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.8 mt -130.68 177.78 7.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.482 ' O ' ' C ' ' A' ' 39' ' ' GLN . 21.5 p -108.94 149.7 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 38' ' ' CYS . 11.5 tt0 -31.83 -53.64 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -52.0 -57.79 8.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.7 m -49.93 -51.25 42.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 5.6 t80 -52.99 -56.16 18.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -50.97 -44.86 60.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -61.24 -39.32 89.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.64 96.8 2.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.98 141.68 51.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.62 -174.99 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 50' ' ' SER . . . 179.86 178.67 48.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.475 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.69 -31.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' GLY . 3.2 m -93.82 -75.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.829 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.503 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 79.6 t60 -67.05 144.17 56.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.9 t -112.24 153.11 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -66.71 -16.04 63.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.71 23.74 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.503 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 14.8 m170 -104.36 121.17 42.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.442 ' HB2' ' CD ' ' A' ' 30' ' ' GLN . 12.2 mm100 -75.12 160.52 30.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.569 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 19.6 mtp -131.76 141.73 49.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -101.78 122.41 43.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . 1.5 pm0 -89.52 124.97 35.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -91.85 105.03 17.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 61' ' ' THR . 16.7 m 42.38 29.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' A' ' 25' ' ' PHE . 83.4 p -55.25 -175.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.745 ' CE3' ' CG ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 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 1.452 -0.289 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 p -138.18 153.05 49.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 m -73.97 112.22 9.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.75 68.66 0.23 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -153.4 110.99 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 m -44.68 146.31 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.51 -169.92 53.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.0 m -121.92 40.0 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -107.67 127.16 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -143.0 151.7 56.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.547 0.689 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -178.7 2.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.476 HG21 ' HA ' ' A' ' 22' ' ' MET . 78.9 t -82.44 88.93 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -127.55 119.93 27.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.13 178.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -95.57 -41.1 9.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -94.15 -70.17 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.2 p -66.12 -16.27 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.7 t60 42.71 49.76 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 m -59.21 179.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 21' ' ' SER . 2.7 pm0 -127.1 -37.2 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 1.8 m -48.82 122.37 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.476 ' HA ' HG21 ' A' ' 12' ' ' VAL . 19.1 ptm -104.9 103.06 12.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.582 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 30.8 mtt -126.48 -47.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.47 61.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 23' ' ' MET . 28.0 m-85 -124.54 107.54 11.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.572 ' CD ' ' CE2' ' A' ' 63' ' ' TRP . 18.1 mmt85 -136.63 108.11 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -122.31 110.75 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -102.93 127.75 50.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.816 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 10.5 t -50.47 159.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 23.8 mt-30 -67.97 -73.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.463 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 1.2 tm0? -108.34 105.26 14.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.4 m -175.22 153.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -65.21 -72.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.69 85.31 2.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.518 ' CZ ' ' CD2' ' A' ' 51' ' ' HIS . 12.0 t80 -133.09 102.14 5.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.563 ' HB3' ' CE3' ' A' ' 63' ' ' TRP . 26.2 mp0 -127.59 138.77 52.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 36' ' ' GLN . 96.3 mt -139.64 162.92 33.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.1 p -100.9 172.35 7.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.17 -51.85 7.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' CYS . 42.1 t0 -58.78 -64.42 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.414 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 5.3 m -36.6 -54.13 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -58.26 -59.45 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -41.09 -46.75 3.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -73.1 -39.38 65.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.82 110.07 2.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.06 149.52 44.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.43 -175.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.6 -179.85 48.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.87 -30.05 0.33 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.537 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.7 m -90.68 -73.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.595 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 84.2 t60 -70.11 147.77 49.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 t -110.5 139.61 45.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -56.21 -25.08 45.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -74.24 -34.58 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.595 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.0 m170 -47.88 120.77 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -81.87 149.97 28.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.6 mmm -105.69 147.22 28.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -117.32 149.74 39.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.75 124.18 27.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -119.77 171.33 8.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.0 m -78.22 -58.31 3.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 63' ' ' TRP . 17.2 m -134.06 145.0 48.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.572 ' CE2' ' CD ' ' A' ' 26' ' ' ARG . 22.2 m95 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 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 -0.31 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -94.66 134.71 36.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 4' ' ' GLY . 47.4 t -120.08 121.64 39.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.07 -43.11 0.42 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t 66.72 42.36 2.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -133.85 93.23 3.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.66 64.51 0.26 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -85.11 142.81 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.371 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 11' ' ' PRO . 53.1 t80 -93.47 85.47 4.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.439 ' CE1' HG21 ' A' ' 12' ' ' VAL . 9.5 t-80 -120.75 69.28 16.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.619 0.723 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 9' ' ' PHE . 54.2 Cg_endo -69.71 102.37 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.718 2.279 . . . . 0.0 112.362 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.47 HG22 ' CZ ' ' A' ' 26' ' ' ARG . 56.7 t -125.71 81.43 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -122.41 103.66 8.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.34 -179.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -114.88 -35.19 4.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -87.97 -44.54 10.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' HIS . 14.3 p -110.82 9.4 22.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' CYS . 70.9 m-70 34.4 37.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' CYS . 27.3 t -39.64 148.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -118.78 -39.72 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 t -59.14 157.92 9.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 23' ' ' MET . 2.7 ttt -58.12 -55.58 33.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 22' ' ' MET . 5.1 ttt -37.26 152.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.5 100.24 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -80.25 177.46 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.326 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.482 ' HB3' ' NE1' ' A' ' 63' ' ' TRP . 4.0 mpt_? -87.52 114.24 23.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -119.77 117.73 28.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.407 ' HB3' ' CD2' ' A' ' 60' ' ' TYR . 26.6 ttt180 -104.39 136.02 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 9.7 t -61.7 159.65 13.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.443 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 10.6 mt-30 -66.71 -76.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.467 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 8.4 tp60 -108.48 105.03 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.06 150.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -59.22 -75.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -132.66 87.68 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.711 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 3.2 t80 -133.59 102.58 5.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.548 ' OE1' ' CD1' ' A' ' 63' ' ' TRP . 25.7 mt-30 -128.65 125.07 37.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.515 HD12 ' SD ' ' A' ' 57' ' ' MET . 66.2 mt -127.57 167.61 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.2 p -114.03 167.22 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -38.38 -54.54 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -60.24 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.8 m -46.7 -64.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 2.9 t80 -47.23 -56.46 6.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -45.41 -44.6 12.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -72.91 -37.89 67.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.73 100.51 1.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -121.13 140.3 52.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.342 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -172.07 -176.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.75 178.58 48.66 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.35 -29.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.466 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' GLY . 20.8 m -88.76 -70.34 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.888 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.711 ' CD2' ' CE2' ' A' ' 35' ' ' TYR . 79.9 t60 -81.1 141.92 33.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.553 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 43.7 t -105.35 128.05 53.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.63 -31.44 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.4 -34.95 79.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 27.2 m170 -47.13 116.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -84.31 136.09 34.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.515 ' SD ' HD12 ' A' ' 37' ' ' LEU . 28.8 mtp -104.11 137.45 42.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -107.67 158.25 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -69.26 125.79 27.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' A' ' 28' ' ' ARG . 18.8 m-85 -137.83 -179.67 5.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 62' ' ' SER . 8.9 t -133.92 -41.14 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.126 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 61' ' ' THR . 22.8 t -55.54 97.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.548 ' CD1' ' OE1' ' A' ' 36' ' ' GLN . 4.3 m0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 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 1.452 -0.288 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -145.12 130.98 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 t -98.43 150.36 21.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.77 40.82 2.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -85.9 145.22 27.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 p -98.89 134.35 41.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.57 51.62 1.03 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.452 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 8' ' ' VAL . 32.8 m -86.93 49.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 111.087 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -87.47 20.79 2.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.554 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -69.36 -56.46 8.35 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 10' ' ' HIS . 53.9 Cg_endo -69.74 -172.77 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.846 HG13 ' CZ3' ' A' ' 63' ' ' TRP . 98.2 t -125.16 96.75 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -120.43 118.13 29.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.58 -179.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.4 t -92.13 -31.94 15.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 5.3 t80 -113.42 -71.34 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.957 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.6 p -59.67 -13.2 8.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 16' ' ' TYR . 55.5 m80 38.03 52.27 1.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 t -57.83 173.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.82 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -125.59 -40.97 2.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 t -46.1 143.63 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.7 ttm -62.48 91.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.438 ' H ' HG11 ' A' ' 12' ' ' VAL . 9.2 mtt -125.22 86.4 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.42 56.05 2.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -127.85 91.6 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.485 ' HB2' ' NE1' ' A' ' 63' ' ' TRP . 21.2 tpp85 -91.03 111.64 23.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -108.29 104.32 13.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -98.56 123.52 42.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.493 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 6.5 t -44.77 162.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 36.0 mt-30 -69.11 -74.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 22.7 tt0 -108.47 104.55 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.02 158.48 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -68.54 -72.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -134.92 86.68 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -133.37 102.55 5.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.449 ' O ' HD23 ' A' ' 37' ' ' LEU . 38.8 mt-30 -123.79 146.57 48.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 36' ' ' GLN . 96.7 mt -149.65 165.82 31.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.15 176.9 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -47.84 -51.52 22.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -61.32 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.407 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 20.8 m -41.49 -48.69 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.476 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 7.0 t80 -63.46 -58.86 5.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -41.14 -41.92 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -80.64 -38.38 29.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.33 116.16 2.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -123.39 149.75 44.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.16 -176.85 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.65 177.13 48.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -37.99 -28.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' GLY . 15.7 m -93.17 -75.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.383 . . . . 0.0 110.87 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 72.4 t60 -67.26 153.66 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.1 t -114.16 148.69 36.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -63.9 -25.34 68.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -75.59 -32.58 60.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 19.1 m170 -48.38 125.89 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -81.65 171.53 14.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.476 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 12.9 mtp -130.73 134.63 47.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -101.01 149.74 23.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -90.49 130.84 36.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -121.13 146.89 46.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.6 p -113.38 81.33 1.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.173 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.0 m -130.25 -56.75 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.846 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -39.83 146.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.826 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -143.81 169.23 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.82 -93.22 2.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t 63.75 42.46 6.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -72.89 134.43 44.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.53 -150.87 16.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.28 -37.83 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 111.118 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -51.56 129.32 25.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.16 81.32 3.73 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -179.28 2.79 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.611 2.207 . . . . 0.0 112.353 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.601 HG11 ' H ' ' A' ' 23' ' ' MET . 95.8 t -51.82 94.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -124.88 152.56 43.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -103.46 -179.61 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 t -91.85 -39.42 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -101.39 -73.07 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.6 p -58.88 -14.83 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 38.21 51.25 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.807 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -64.3 175.67 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' SER . 2.9 pp20? -134.99 -44.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' GLU . 17.7 p -37.5 109.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.7 ttt -46.77 106.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.601 ' H ' HG11 ' A' ' 12' ' ' VAL . 4.2 mmt -147.16 132.59 18.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . -76.39 86.85 0.92 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.459 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 23' ' ' MET . 56.4 m-85 -149.64 105.16 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 0.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.436 ' NH2' HG23 ' A' ' 61' ' ' THR . 0.0 OUTLIER -138.27 107.96 6.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -125.54 120.42 30.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -103.64 146.3 28.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 3.3 t -65.46 161.85 19.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.506 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 22.3 mt-30 -67.4 -76.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.46 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 23.1 tp60 -108.94 104.27 13.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.44 149.18 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -58.62 -75.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.444 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -132.76 86.76 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.607 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 10.8 t80 -132.73 102.45 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.447 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -123.64 151.48 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.675 HD12 ' HE2' ' A' ' 57' ' ' MET . 87.2 mt -152.06 163.03 40.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.6 p -102.92 176.88 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -48.31 -50.83 28.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -58.75 -65.37 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.8 m -37.85 -51.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 8.6 t80 -60.35 -53.15 61.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -47.43 -46.67 26.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -73.62 -38.34 65.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.18 108.47 1.68 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.441 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.65 151.1 40.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.795 0.331 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.6 -175.03 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.27 179.13 48.92 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.423 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -41.75 -29.95 0.57 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 m -89.17 -70.37 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 110.88 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.607 ' CD2' ' CE2' ' A' ' 35' ' ' TYR . 83.1 t60 -74.43 143.62 44.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.406 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 11.2 t -104.91 135.32 46.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -54.34 -29.67 48.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -67.68 -34.3 76.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 37.2 m170 -49.27 119.56 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -79.13 156.66 28.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.675 ' HE2' HD12 ' A' ' 37' ' ' LEU . 20.4 mmm -122.68 132.32 54.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.7 mptm? -116.51 156.57 26.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 2.8 pp20? -68.88 135.25 50.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.491 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 63.7 m-85 -156.71 127.93 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.436 HG23 ' NH2' ' A' ' 26' ' ' ARG . 23.1 m -76.66 79.76 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.2 m -87.22 -66.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.447 ' C ' ' CD1' ' A' ' 63' ' ' TRP . 1.5 p90 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 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 -0.356 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -168.84 171.47 8.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -50.73 157.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.23 160.77 30.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 p -167.88 149.4 5.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -71.29 171.24 11.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.03 -92.64 0.38 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.5 m -45.75 147.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 111.117 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -48.03 167.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -54.3 113.48 5.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.605 0.717 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 157.82 59.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.554 HG13 ' CH2' ' A' ' 63' ' ' TRP . 90.7 t -89.03 83.58 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.141 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -122.52 125.83 46.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.98 178.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 m -94.4 -31.67 13.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -109.35 -73.76 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 p -59.99 -14.23 15.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 39.3 50.6 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.1 t -70.19 169.68 13.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -128.49 -45.95 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t -39.0 143.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.33 44.05 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 mmt -119.66 44.9 2.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.75 178.89 41.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -143.47 -177.15 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.906 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.586 ' HB2' ' CD1' ' A' ' 63' ' ' TRP . 8.3 tpt180 -97.59 109.44 22.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -112.47 111.66 22.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.53 123.34 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.1 t -45.58 161.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.477 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 47.4 mt-30 -68.63 -74.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 4.3 tp60 -108.55 104.52 13.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.6 167.61 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -76.65 -74.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -131.94 88.71 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -132.99 102.4 5.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.507 ' O ' HD23 ' A' ' 37' ' ' LEU . 29.0 mt-30 -123.86 143.65 50.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 36' ' ' GLN . 80.6 mt -150.4 157.18 42.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 p -98.64 176.77 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -46.11 -48.77 17.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.68 -64.35 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 24.6 m -38.79 -50.79 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -60.42 -60.93 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -43.6 -42.64 5.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -71.6 -38.31 70.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.33 111.29 2.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . 7.1 m170 -121.96 144.86 48.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.769 0.318 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.69 -177.59 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.76 178.39 48.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.56 -28.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.526 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 48' ' ' GLY . 22.6 t -94.79 -73.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.593 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 72.5 t60 -68.66 150.99 47.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.1 t -114.93 132.44 56.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -49.28 -22.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -76.5 -34.01 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 17.6 m170 -48.62 122.95 6.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 57' ' ' MET . 33.6 tp60 -78.85 160.44 27.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.433 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 47.5 mmm -119.21 133.2 55.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -94.84 144.2 25.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -82.94 134.13 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -120.73 116.0 24.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.6 p -92.82 44.19 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.1 t -104.72 -46.02 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.586 ' CD1' ' HB2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 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 -0.331 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.2 p -162.15 168.09 23.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -158.46 138.5 12.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.08 -128.51 3.38 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 t -163.49 138.74 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -123.87 98.53 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.32 157.49 11.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.3 t -85.25 87.21 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -91.93 161.24 14.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -114.51 153.32 46.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 91.27 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.644 HG13 ' CG ' ' A' ' 63' ' ' TRP . 69.9 t -111.51 89.34 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -127.69 171.06 12.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 t -95.76 175.82 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 t -102.5 -27.08 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -103.92 -71.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 p -68.08 -14.05 62.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.0 m80 40.93 51.09 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.6 p -75.46 179.34 5.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -123.55 -44.0 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 t -43.67 138.59 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 37.5 ttm -91.55 45.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.5 tmm? -107.37 81.22 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.45 ' O ' ' CZ3' ' A' ' 63' ' ' TRP . . . 142.38 -166.82 26.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -141.4 173.86 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.586 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . 3.4 ptm85 -84.82 122.39 29.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 82.6 m-85 -117.84 100.17 7.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -91.94 123.78 35.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 19.1 t -42.98 162.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 16.8 mt-30 -74.77 -71.47 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 5.3 tp60 -108.34 104.67 14.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.26 170.34 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -78.31 -73.7 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -134.91 87.55 2.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.416 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.1 t80 -133.31 102.65 5.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.433 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -123.8 137.71 54.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' A' ' 41' ' ' CYS . 93.7 mt -144.78 150.08 36.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.1 p -94.92 173.49 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 33.2 tt0 -45.59 -41.1 9.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -66.53 -64.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.542 ' HB3' HD22 ' A' ' 37' ' ' LEU . 65.6 m -45.38 -53.09 9.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -57.49 -61.82 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 39' ' ' GLN . 6.8 m95 -40.81 -43.37 2.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -70.26 -39.14 75.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.99 106.87 2.08 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.57 151.44 42.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.801 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.86 -176.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.85 179.91 48.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -41.11 -33.23 0.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.0 m -87.02 -68.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 77.6 t60 -75.42 137.76 41.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -103.83 129.54 51.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -47.74 -25.23 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -84.03 25.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.59 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 18.7 m170 -106.29 121.22 43.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -78.62 144.99 34.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.0 mtp -111.89 137.04 50.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -95.55 132.28 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 11.2 tm-20 -86.79 137.54 32.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.441 ' HB2' ' CD ' ' A' ' 26' ' ' ARG . 46.8 m-85 -127.18 138.86 53.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.8 t -83.86 27.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.5 m -117.91 37.27 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.644 ' CG ' HG13 ' A' ' 12' ' ' VAL . 1.9 t90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.51 159.41 29.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.834 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -128.52 176.01 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.38 120.96 0.59 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -64.44 151.49 44.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 0.0 110.864 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 p -75.09 151.45 38.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.45 -165.36 11.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.431 HG12 ' H ' ' A' ' 10' ' ' HIS . 41.4 t -75.41 141.39 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -98.23 35.24 1.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.534 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 1.2 t-80 -69.6 -58.17 6.01 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.623 0.725 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 10' ' ' HIS . 53.7 Cg_endo -69.75 -172.61 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.73 2.286 . . . . 0.0 112.287 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.631 HG13 ' CZ3' ' A' ' 63' ' ' TRP . 87.7 t -74.86 106.24 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.597 ' O ' ' CZ2' ' A' ' 63' ' ' TRP . 30.7 mm-40 -118.69 -174.58 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.9 179.33 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 m -98.09 -47.63 5.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.518 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 32.0 t80 -87.4 -66.99 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 18' ' ' HIS . 3.4 p -67.4 -19.15 65.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 16' ' ' TYR . 2.0 p80 28.79 49.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 t -72.93 177.0 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 21' ' ' SER . 4.1 pt-20 -115.36 -33.82 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 8.1 t -48.87 135.87 14.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.9 ttt -80.17 99.35 7.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.3 ptp -175.2 137.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.69 173.45 36.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -128.74 169.87 14.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HB2' ' CE2' ' A' ' 63' ' ' TRP . 13.9 ttt180 -80.75 113.8 19.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -115.49 117.53 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.2 ttt85 -105.85 129.61 53.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.3 t -50.9 162.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.49 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 28.3 mt-30 -70.33 -74.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.462 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 1.4 tp-100 -108.61 104.68 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.52 161.01 3.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -71.38 -71.8 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -135.02 87.04 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -133.22 102.57 5.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' OE1' ' CZ ' ' A' ' 26' ' ' ARG . 10.3 mt-30 -123.75 149.37 45.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD22 ' HB3' ' A' ' 41' ' ' CYS . 44.1 mt -153.25 154.36 34.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.4 p -95.47 171.11 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.585 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 13.1 tt0 -42.79 -47.41 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -63.04 -61.89 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.454 ' HB3' HD22 ' A' ' 37' ' ' LEU . 32.9 m -43.28 -57.29 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -53.98 -56.88 13.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 39' ' ' GLN . 10.2 m0 -43.47 -53.06 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -63.9 -39.32 93.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.52 113.43 3.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.75 148.11 46.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.96 -177.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.81 179.24 48.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.32 -29.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' GLY . 11.2 t -91.47 -74.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.598 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 79.5 t60 -67.18 148.26 52.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -112.87 133.19 54.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -50.4 -25.2 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -73.24 -34.66 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.598 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.3 m170 -47.04 127.07 9.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -82.43 164.26 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.9 mtp -126.63 140.15 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -108.25 151.62 25.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -90.13 134.78 34.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -142.03 129.93 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.8 m -96.18 86.72 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 63' ' ' TRP . 28.3 p -116.32 -43.58 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.631 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 40.5 m0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 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 1.452 -0.299 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 p -167.07 116.81 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 110.84 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -160.4 164.04 32.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.17 88.55 0.59 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.534 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -110.89 90.45 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t -50.1 132.3 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.99 -93.03 0.48 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.1 t -74.86 -57.47 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -144.91 153.52 41.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -80.43 118.11 70.88 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.82 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -179.76 3.16 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.709 2.272 . . . . 0.0 112.323 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.747 HG13 ' CH2' ' A' ' 63' ' ' TRP . 52.0 t -100.35 89.33 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -114.68 131.3 56.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t -79.88 173.57 12.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 t -96.9 -39.5 9.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -90.99 -70.74 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.8 p -69.11 -15.42 63.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 44.31 52.75 7.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 t -70.83 177.89 3.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -129.12 -32.28 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 t -57.08 140.35 49.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 23' ' ' MET . 6.1 ttt -63.8 -45.19 90.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' MET . 11.3 ttt -36.41 105.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.36 161.04 10.7 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 28.1 m-85 -131.85 170.39 14.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.579 ' HG3' ' CZ2' ' A' ' 63' ' ' TRP . 9.2 mtp180 -82.96 116.87 22.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.43 ' CZ ' ' HB2' ' A' ' 25' ' ' PHE . 38.9 m-85 -119.69 110.47 16.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.541 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 24.5 ttm180 -94.54 125.11 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.481 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.7 t -45.0 162.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.481 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 17.0 mt-30 -71.29 -73.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 9.3 tt0 -108.67 104.3 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.13 167.17 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -74.96 -75.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -134.84 87.52 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.3 t80 -133.25 102.89 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.422 ' O ' HD23 ' A' ' 37' ' ' LEU . 24.7 mt-30 -121.25 142.64 49.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 36' ' ' GLN . 85.1 mt -145.23 161.29 39.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.6 p -105.96 176.28 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -46.06 -50.19 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.3 -62.27 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.8 m -43.38 -44.3 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -63.39 -57.68 9.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -45.13 -45.19 11.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -75.21 -38.76 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.73 113.89 1.47 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -122.94 152.82 40.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.24 -175.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.67 176.33 47.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.88 -30.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' GLY . 49.0 m -92.48 -75.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 110.805 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 82.2 t60 -65.64 154.0 40.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.8 t -119.57 132.06 55.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -49.84 -24.5 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -75.09 -33.39 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 26.4 m170 -49.69 119.18 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.31 143.63 32.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.3 mmm -99.15 134.93 41.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -98.3 142.99 29.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -73.8 124.64 26.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.541 ' CE1' ' HB3' ' A' ' 28' ' ' ARG . 11.8 m-85 -117.28 122.35 43.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.8 p -79.76 80.97 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.447 ' OG ' ' CZ ' ' A' ' 26' ' ' ARG . 44.1 t -104.21 -60.02 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.85 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.747 ' CH2' HG13 ' A' ' 12' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 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 -0.315 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' SER . 2.9 m 62.73 42.14 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.856 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' SER . 21.3 m 37.89 42.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.81 115.75 5.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -56.31 140.01 46.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.362 . . . . 0.0 110.902 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.1 m -85.95 119.34 26.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.62 101.33 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.443 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -107.8 168.59 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 111.097 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -90.18 -53.26 4.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -134.34 141.63 39.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.57 0.7 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 134.33 27.79 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.842 HG21 ' O ' ' A' ' 22' ' ' MET . 67.0 t -124.74 87.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -119.94 130.47 54.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.12 -175.97 1.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.437 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 6.8 t -99.84 -39.74 8.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -97.87 -67.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.93 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.1 p -68.26 -14.76 63.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 15' ' ' SER . 13.3 m-70 41.48 49.83 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -55.83 174.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' SER . 10.5 pt-20 -123.29 -42.22 2.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' GLU . 1.5 t -36.96 155.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.842 ' O ' HG21 ' A' ' 12' ' ' VAL . 2.1 tmt? -66.82 -39.64 87.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.474 ' O ' HG11 ' A' ' 12' ' ' VAL . 56.3 mtp -33.49 110.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.33 -101.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 63.93 45.83 4.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -86.46 114.81 23.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -120.71 123.13 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -99.94 131.14 46.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 2.4 t -50.75 160.79 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 52.6 mt-30 -64.6 -76.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 23.3 tp60 -109.2 104.27 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.72 133.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -43.22 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -133.74 85.31 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.456 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.0 t80 -133.37 103.03 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' O ' HD23 ' A' ' 37' ' ' LEU . 49.2 mt-30 -122.7 151.94 41.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.576 HD12 ' SD ' ' A' ' 57' ' ' MET . 45.1 mt -150.71 149.65 30.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.0 p -98.97 176.94 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -46.61 -49.58 18.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -61.73 -59.76 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 m -39.89 -56.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -51.29 70.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -45.6 -41.93 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -81.27 -38.74 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.95 111.63 2.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.54 142.15 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.51 -175.47 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 51' ' ' HIS . . . -179.93 -179.8 48.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.546 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.83 -28.18 0.65 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.0 m -90.49 -70.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 78.6 t60 -72.22 148.03 45.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 t -112.8 128.01 56.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -46.32 -27.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -70.42 -35.2 73.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.7 m170 -45.41 119.42 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -75.9 172.99 11.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.576 ' SD ' HD12 ' A' ' 37' ' ' LEU . 21.6 mtp -136.71 153.06 50.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -130.13 136.14 48.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -69.01 136.34 52.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -131.16 174.37 10.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.4 p -112.32 38.5 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.7 t -80.04 -58.86 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.415 ' C ' ' HD2' ' A' ' 26' ' ' ARG . 70.0 p-90 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -87.39 -60.83 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 t -151.41 150.97 31.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.02 78.24 1.35 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -80.74 -59.77 2.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.942 0.401 . . . . 0.0 110.84 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -160.59 153.28 20.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.95 103.01 0.92 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -91.93 39.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.102 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -108.62 -61.05 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -78.64 129.38 74.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.42 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.87 3.86 2.57 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.32 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.795 HG13 ' NH1' ' A' ' 26' ' ' ARG . 35.1 t -123.92 95.61 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -123.62 127.59 48.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.472 ' HB3' ' N ' ' A' ' 18' ' ' HIS . 3.9 t -71.81 174.22 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.2 t -105.55 -24.27 12.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.518 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 4.8 t80 -98.68 -53.33 3.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 18' ' ' HIS . 19.6 p -103.84 1.68 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.472 ' N ' ' HB3' ' A' ' 14' ' ' CYS . 2.3 p80 30.92 54.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 t -80.51 162.16 24.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -116.55 -37.51 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -44.29 147.96 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.1 ttt -87.68 48.81 1.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -116.42 42.25 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.9 -170.33 38.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -151.49 -178.6 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.795 ' NH1' HG13 ' A' ' 12' ' ' VAL . 32.1 mmt-85 -84.5 106.94 16.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -118.34 108.11 14.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.503 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 4.6 tpp180 -102.56 132.62 48.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.6 t -54.14 158.81 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -68.74 -74.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.48 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 31.7 tp60 -108.15 104.57 14.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.64 150.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -57.33 -75.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' HA ' ' NH1' ' A' ' 28' ' ' ARG . 9.2 m120 -134.94 89.03 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.595 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.1 t80 -130.95 102.58 6.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.503 ' HG2' ' CD1' ' A' ' 63' ' ' TRP . 5.4 mt-30 -121.28 141.18 51.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.729 HD12 ' SD ' ' A' ' 57' ' ' MET . 26.0 mt -150.45 165.28 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.4 p -108.48 169.75 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 27.3 tt0 -41.1 -51.68 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -56.84 -61.56 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.477 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 15.9 m -40.8 -53.72 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.528 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 6.1 t80 -61.72 -52.76 62.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 39' ' ' GLN . 8.3 m0 -43.87 -41.45 5.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -79.03 -39.43 33.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.62 101.2 1.98 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.518 ' CE1' ' CE1' ' A' ' 16' ' ' TYR . 17.4 m170 -115.02 153.33 30.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.833 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.07 -177.14 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLY . . . -179.99 -179.81 48.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.89 -36.24 0.31 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.0 m -86.71 -73.6 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.595 ' CG ' ' CE2' ' A' ' 35' ' ' TYR . 76.3 t60 -69.96 139.02 52.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -107.54 134.39 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -50.31 -20.84 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -86.73 24.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 15.6 m170 -108.51 120.19 41.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -85.04 134.86 34.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.729 ' SD ' HD12 ' A' ' 37' ' ' LEU . 29.3 mtp -96.81 159.09 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -124.82 150.87 45.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -85.82 133.32 33.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.503 ' CE2' ' HB3' ' A' ' 28' ' ' ARG . 21.5 m-85 -132.55 140.09 48.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.8 m -40.3 -53.28 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -162.87 119.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.515 ' CD2' ' HD2' ' A' ' 26' ' ' ARG . 24.9 m0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 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 -0.302 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m 55.54 42.26 29.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -77.95 172.74 13.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.24 82.9 1.7 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.4 p -129.42 91.6 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 p -122.2 105.21 10.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.86 -178.61 42.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.456 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 9' ' ' PHE . 8.0 p -65.76 -42.88 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 111.165 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.461 ' N ' HG13 ' A' ' 8' ' ' VAL . 27.1 m-85 -64.39 157.48 26.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -120.11 136.06 24.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.727 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 118.37 5.64 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.378 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.507 HG21 ' N ' ' A' ' 23' ' ' MET . 60.4 t -81.25 91.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -128.03 134.62 49.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.97 177.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.1 t -100.14 -31.83 11.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -97.3 -66.53 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' HIS . 15.9 p -80.2 8.17 7.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' CYS . 24.4 m80 35.71 46.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t -47.54 175.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 21' ' ' SER . 8.5 pt-20 -131.42 -36.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 20' ' ' GLU . 17.5 p -34.94 150.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 23' ' ' MET . 14.0 ptm -56.33 -176.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.507 ' N ' HG21 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -44.97 170.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.451 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . 102.69 148.01 19.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.451 ' CD2' ' O ' ' A' ' 24' ' ' GLY . 3.5 m-85 72.48 45.7 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -104.94 107.47 18.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -124.76 107.23 10.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -99.46 127.95 45.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 23.8 t -44.06 160.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 8.0 mt-30 -71.53 -73.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 30.7 tt0 -108.28 104.61 14.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.28 152.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -60.57 -74.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -135.0 87.2 2.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.428 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 3.9 t80 -133.55 102.73 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.633 ' NE2' ' CD1' ' A' ' 63' ' ' TRP . 45.1 mt-30 -123.55 138.24 54.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.486 HD12 ' CE ' ' A' ' 57' ' ' MET . 22.6 mt -141.42 157.97 44.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 39' ' ' GLN . 20.8 p -105.4 165.8 10.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' CYS . 10.0 tt0 -35.51 -52.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -57.38 -65.76 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 66.2 m -42.44 -47.79 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -61.84 -49.72 75.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -53.79 -45.49 70.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -69.58 -37.27 76.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.07 105.49 1.52 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.435 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -119.86 149.18 42.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.68 -178.26 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.79 176.59 47.63 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.02 -37.17 0.59 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.7 p -81.68 -66.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.826 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 66.7 t60 -79.27 131.36 36.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.7 t -97.23 139.15 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -55.47 -20.21 11.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -85.28 24.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 20.4 m170 -107.48 119.7 40.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -80.12 141.7 35.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.486 ' CE ' HD12 ' A' ' 37' ' ' LEU . 60.0 mmm -99.68 127.71 45.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -98.24 127.97 44.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -72.29 141.36 48.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 58' ' ' LYS . 82.2 m-85 -139.61 158.53 43.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.962 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.3 m -66.8 -51.69 52.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.9 m -138.31 155.85 48.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.633 ' CD1' ' NE2' ' A' ' 36' ' ' GLN . 9.5 m0 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -167.54 132.03 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -153.92 175.43 13.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.86 122.16 1.05 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.445 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -83.8 86.61 7.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -118.58 -57.4 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.45 54.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.65 137.77 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.4 ' C ' ' CG ' ' A' ' 10' ' ' HIS . 44.8 m-85 -47.41 -49.82 24.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.4 ' CG ' ' C ' ' A' ' 9' ' ' PHE . 17.5 m80 -155.89 143.19 13.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 108.52 2.1 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.718 2.279 . . . . 0.0 112.31 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.575 HG11 ' H ' ' A' ' 23' ' ' MET . 66.5 t -59.39 97.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -123.69 171.49 9.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -127.93 -175.07 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.2 p -95.11 -39.5 10.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -104.55 -73.66 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' HIS . 5.8 p -56.48 -19.35 14.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' CYS . 19.9 p80 33.69 45.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 m -62.07 177.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 21' ' ' SER . 0.5 OUTLIER -130.31 -43.01 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.452 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 1.7 m -39.09 118.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.4 ttt -41.67 115.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.575 ' H ' HG11 ' A' ' 12' ' ' VAL . 5.6 mtp -142.7 157.01 45.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.514 ' O ' ' CG ' ' A' ' 25' ' ' PHE . . . -121.66 87.03 0.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.417 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CE1' ' OE1' ' A' ' 39' ' ' GLN . 23.8 m-85 -160.79 119.3 2.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.468 ' HB3' ' NE1' ' A' ' 63' ' ' TRP . 23.3 mmt180 -132.66 108.18 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -119.88 110.55 16.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.52 126.73 45.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 8.5 t -49.98 162.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 27.9 mt-30 -71.96 -74.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.454 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.2 tp-100 -108.64 104.86 14.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.59 155.84 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -66.9 -71.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -133.9 86.08 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.434 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.2 t80 -133.42 102.09 5.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.579 ' HB3' ' CZ2' ' A' ' 63' ' ' TRP . 14.8 mp0 -126.73 120.27 28.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.1 mt -118.41 156.73 28.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 39' ' ' GLN . 20.7 p -100.71 165.29 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.598 ' OE1' ' CE1' ' A' ' 25' ' ' PHE . 20.9 tt0 -35.17 -59.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 41' ' ' CYS . 25.6 t0 -53.37 -66.16 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 40' ' ' ASP . 8.6 m -37.1 -50.07 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.495 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 11.2 t80 -63.55 -51.85 63.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -45.53 -44.36 12.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -80.26 -39.12 29.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.27 116.25 3.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.48 150.4 45.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.37 -176.57 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.65 -179.73 48.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.57 -28.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' GLY . 23.9 m -93.86 -75.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.605 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 83.2 t60 -64.98 153.67 39.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.8 t -119.09 137.58 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -53.1 -26.68 17.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' HG2' ' N ' ' A' ' 55' ' ' HIS . 1.9 pt20 -72.97 -34.78 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.605 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.2 m170 -48.6 118.36 2.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -75.59 158.02 33.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.495 ' HG3' ' CD1' ' A' ' 42' ' ' PHE . 45.1 mmm -120.88 119.49 32.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.83 144.86 25.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.37 131.04 38.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -121.92 176.51 5.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.4 m -62.55 -64.43 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 t -174.14 160.23 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.579 ' CZ2' ' HB3' ' A' ' 36' ' ' GLN . 5.2 p-90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.5 p -133.73 173.93 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 t -107.61 -51.39 2.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.53 154.4 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -173.96 138.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -73.2 88.94 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.34 -44.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.4 m -45.09 122.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 111.168 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 10' ' ' HIS . 48.4 p90 -87.39 -46.78 9.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.486 ' HB2' ' CE2' ' A' ' 9' ' ' PHE . 10.4 m170 -127.7 99.94 25.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 10' ' ' HIS . 54.1 Cg_endo -69.76 128.53 16.15 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.34 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.747 HG13 ' NE1' ' A' ' 63' ' ' TRP . 57.3 t -95.95 83.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.491 ' O ' ' CZ3' ' A' ' 63' ' ' TRP . 21.4 mp0 -127.74 139.82 52.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.88 178.57 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -107.21 -34.89 6.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.431 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 5.0 t80 -90.28 -61.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' HIS . 16.2 p -91.14 7.57 39.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' CYS . 16.4 p80 35.06 45.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 p -50.55 174.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -129.49 -35.5 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -45.13 119.56 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.409 ' HA ' HG11 ' A' ' 12' ' ' VAL . 9.9 ptp -109.64 84.97 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.597 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 7.2 ttm -125.92 -46.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.497 ' HA2' ' CZ ' ' A' ' 26' ' ' ARG . . . 154.26 59.54 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CE2' ' HB3' ' A' ' 23' ' ' MET . 3.2 m-85 -126.18 76.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.497 ' CZ ' ' HA2' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.35 110.46 10.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -125.85 119.93 29.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -97.35 134.59 40.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.51 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 5.9 t -54.91 162.85 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.51 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 22.6 mt-30 -70.06 -74.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 11.2 tp60 -109.07 104.8 14.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -173.98 162.29 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -70.94 -72.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -134.98 89.52 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.406 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 6.3 t80 -133.92 102.4 5.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -125.53 111.96 15.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.464 ' HG ' ' HE1' ' A' ' 57' ' ' MET . 80.9 mt -115.52 154.41 29.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.3 p -98.15 168.59 10.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -40.71 -53.11 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.33 -59.02 5.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.8 m -45.06 -52.58 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.574 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 8.3 t80 -61.38 -56.4 20.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.5 m0 -42.8 -41.24 3.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -77.82 -38.17 46.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.2 99.44 1.75 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.431 ' CE1' ' CE1' ' A' ' 16' ' ' TYR . 21.1 m170 -114.83 148.83 37.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.18 -178.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.97 179.68 48.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.89 -31.94 0.32 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.0 m -88.48 -70.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 75.2 t60 -76.52 139.53 40.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.569 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 8.0 t -102.49 134.51 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -53.53 -24.89 14.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -84.76 25.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 30.4 m170 -107.11 119.48 39.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -73.44 160.09 32.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.574 ' HG3' ' CD1' ' A' ' 42' ' ' PHE . 28.3 mmm -128.62 124.29 35.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -102.13 146.26 28.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 2.9 pt-20 -68.85 131.41 45.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 30.4 m-85 -151.2 108.94 3.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.8 m -71.26 77.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -134.16 28.53 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.747 ' NE1' HG13 ' A' ' 12' ' ' VAL . 5.9 m95 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 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 1.451 -0.303 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -141.44 119.17 11.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -155.68 121.99 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.02 103.32 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -146.04 158.29 43.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 m -68.84 176.82 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.95 -166.54 30.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' ' 9' ' ' PHE . 26.9 m -121.7 -42.34 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.441 ' N ' HG23 ' A' ' 8' ' ' VAL . 48.8 m-85 -71.81 147.11 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -114.58 147.81 38.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.602 0.715 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 90.26 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.727 2.285 . . . . 0.0 112.304 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.879 HG13 ' CE3' ' A' ' 63' ' ' TRP . 21.5 t -90.92 79.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -138.95 151.78 47.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.495 ' HB3' ' N ' ' A' ' 18' ' ' HIS . 3.2 t -85.99 177.26 7.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -92.84 -50.78 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -87.72 -72.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' HIS . 3.7 p -65.79 -14.2 60.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.495 ' N ' ' HB3' ' A' ' 14' ' ' CYS . 22.7 p80 34.1 54.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -70.17 -178.59 1.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 21' ' ' SER . 8.3 pt-20 -131.89 -30.26 1.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' GLU . 44.4 p -33.67 151.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.741 ' HE2' HG11 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -102.41 48.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 24' ' ' GLY . 2.5 ptt? -129.42 -41.39 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.492 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . -58.2 -172.88 0.36 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 14.9 m-85 -155.24 166.24 34.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.48 ' HB2' ' NE1' ' A' ' 63' ' ' TRP . 7.4 tpt180 -79.67 107.03 12.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 25' ' ' PHE . 51.7 m-85 -119.38 100.37 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -94.06 123.25 37.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.4 t -42.07 163.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 27.9 mt-30 -69.8 -74.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.438 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 3.3 tp-100 -108.53 104.8 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -173.28 162.06 4.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -73.24 -70.68 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -134.22 85.52 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.489 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.4 t80 -132.82 102.66 5.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -123.24 140.7 52.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.2 mt -147.47 168.08 22.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.422 ' SG ' ' OD2' ' A' ' 40' ' ' ASP . 17.5 p -107.37 174.31 5.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -43.76 -59.86 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -52.2 -64.36 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' ASP . 5.6 m -35.25 -49.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.555 ' CE1' ' HG2' ' A' ' 57' ' ' MET . 4.3 t80 -69.22 -50.83 43.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -43.45 -42.55 4.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -81.27 -38.86 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.47 111.97 3.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.1 156.47 33.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.18 -176.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' GLY . . . -179.74 179.61 48.82 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.88 -36.42 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.6 t -88.38 -75.7 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 67.5 t60 -64.45 145.82 55.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -110.23 151.28 27.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -65.03 -20.04 66.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -90.91 23.82 3.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 19.0 m170 -105.68 121.28 43.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -80.35 155.87 27.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.555 ' HG2' ' CE1' ' A' ' 42' ' ' PHE . 38.8 mmm -115.72 134.81 54.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -109.5 139.08 44.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' CD ' ' H ' ' A' ' 59' ' ' GLU . 2.5 pm0 -74.01 138.0 43.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -121.34 -75.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.7 m -74.8 -46.06 39.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.2 m 63.5 51.15 2.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.879 ' CE3' HG13 ' A' ' 12' ' ' VAL . 1.8 p-90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -173.07 159.51 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -173.46 156.99 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.56 161.82 26.58 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.528 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -147.72 123.9 10.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -158.05 144.13 17.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.41 154.08 6.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 9' ' ' PHE . 27.4 m -70.16 -44.16 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.477 ' N ' HG23 ' A' ' 8' ' ' VAL . 38.8 m-85 -34.43 134.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 9.4 p-80 -101.76 96.79 6.96 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.719 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 9' ' ' PHE . 53.7 Cg_endo -69.76 167.43 24.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.742 2.295 . . . . 0.0 112.304 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.51 87.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -128.08 146.69 50.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -86.21 -178.45 6.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.5 t -102.6 -41.67 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 5.1 t80 -91.05 -69.61 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.1 p -67.62 -17.01 64.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 42.51 49.48 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 t -57.6 174.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 21' ' ' SER . 1.1 pm0 -125.9 -36.12 2.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 42.9 t -47.09 164.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.5 tpt -86.52 84.09 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.3 mmt -114.23 99.88 7.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.18 62.86 4.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -131.53 90.77 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -96.79 106.99 19.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -105.26 100.22 9.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.4 ttp85 -93.53 120.08 33.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 13.4 t -48.22 161.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.466 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 23.4 mt-30 -71.02 -73.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.8 tt0 -108.41 105.07 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.78 172.75 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.409 ' C ' ' OD1' ' A' ' 34' ' ' ASN . 21.7 m170 -81.97 -72.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 33' ' ' HIS . 5.2 m-20 -135.09 88.2 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.548 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.1 t80 -132.42 102.37 5.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -128.09 117.4 21.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.0 mt -117.44 164.61 14.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 p -106.52 174.13 6.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -44.65 -55.27 5.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' CYS . 29.9 t70 -56.67 -68.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' ASP . 7.7 m -33.84 -55.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -57.73 -51.25 70.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -48.16 -41.89 28.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.471 ' CZ ' ' HA ' ' A' ' 44' ' ' ARG . 2.2 mmp_? -78.47 -39.16 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.73 106.29 2.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.36 147.49 45.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.19 -178.74 1.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.67 178.9 48.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.49 -33.71 0.59 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.472 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -82.12 -65.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.594 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 76.8 t60 -85.91 134.49 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.495 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 43.5 t -98.68 128.89 45.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -48.3 -24.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -84.4 25.57 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 18.2 m170 -105.58 119.28 38.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -73.29 142.86 47.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.5 mmm -104.32 157.81 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -118.36 122.38 42.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.23 126.55 30.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -118.04 -175.3 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.2 p -61.32 -68.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.6 t -175.21 157.29 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.817 0.341 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.3 t -98.92 -37.73 9.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -98.59 -72.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.8 0.333 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -112.55 104.21 12.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.963 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -96.83 122.35 39.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 9.7 t -46.5 162.11 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.475 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 41.5 mt-30 -70.25 -73.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.456 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.2 tp-100 -108.18 104.61 14.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.57 168.1 3.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -79.86 -69.89 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -135.01 87.02 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.519 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.5 t80 -133.03 102.35 5.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -124.57 133.7 53.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.473 ' HB2' ' HE2' ' A' ' 57' ' ' MET . 77.7 mt -136.76 170.46 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.7 p -115.04 177.12 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -44.37 -54.03 6.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' CYS . 0.7 OUTLIER -55.63 -69.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' ASP . 59.1 m -37.02 -42.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -68.94 -52.86 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -46.62 -44.71 18.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -80.79 -38.89 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.2 118.53 2.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -125.14 157.61 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.3 -175.75 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.44 179.94 48.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.09 -35.63 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 t -87.15 -71.63 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.594 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 77.0 t60 -71.41 136.96 47.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.7 t -105.84 136.19 45.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -51.03 -20.82 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -86.83 24.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 17.8 m170 -108.54 122.62 47.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -80.66 157.49 25.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.473 ' HE2' ' HB2' ' A' ' 37' ' ' LEU . 32.3 mmm -115.96 144.46 44.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -108.32 144.49 35.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.781 0.324 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t -104.1 -41.17 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -97.18 -73.02 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.777 0.322 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 12.7 m-85 -117.27 107.02 13.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -94.77 131.23 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.411 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 19.0 t -46.98 159.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 16.3 mt-30 -66.91 -74.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 16.0 tt0 -108.24 105.27 14.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.447 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.35 155.63 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -66.9 -73.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -132.06 83.64 2.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.506 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 3.9 t80 -132.84 102.55 5.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -123.43 142.02 51.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.452 HD12 ' CE ' ' A' ' 57' ' ' MET . 26.7 mt -148.87 172.43 14.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.9 p -113.47 176.92 4.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -48.62 -48.53 39.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -59.13 -63.81 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.424 ' HB3' HD22 ' A' ' 37' ' ' LEU . 34.2 m -43.03 -48.38 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.518 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 17.7 t80 -61.57 -53.35 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -46.2 -53.88 9.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -65.43 -39.29 91.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.11 112.85 2.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -124.49 155.25 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.31 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.25 -175.05 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.76 179.41 48.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.62 -31.24 0.39 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.5 m -91.32 -73.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 63.3 t60 -66.36 150.85 48.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.422 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 40.1 t -113.45 156.9 22.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -70.7 -23.06 62.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -89.8 24.84 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.55 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 14.2 m170 -103.5 123.31 46.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -81.51 168.82 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.518 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 12.2 mtp -128.14 149.14 50.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -122.65 146.11 47.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.568 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 46.5 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.9 m -92.63 -60.43 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.439 ' CD1' ' CE1' ' A' ' 46' ' ' HIS . 14.4 t80 -73.91 -68.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 26' ' ' ARG . 2.6 tmm_? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.768 0.318 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -119.52 109.62 15.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -92.38 126.57 37.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 6.4 t -48.98 162.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.497 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 29.5 mt-30 -68.48 -74.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -108.76 104.69 14.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.15 159.11 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -71.73 -71.4 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -132.61 84.56 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.501 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 3.8 t80 -133.61 102.61 5.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -125.75 133.59 52.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' HB3' ' CB ' ' A' ' 41' ' ' CYS . 23.6 mt -138.5 160.25 40.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' GLN . 20.0 p -101.34 161.72 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' CYS . 3.5 tp-100 -34.95 -51.94 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -57.32 -62.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 18.2 m -41.29 -51.31 3.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.532 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 13.1 t80 -59.29 -54.91 41.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -46.94 -39.64 12.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -74.16 -39.19 63.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.6 94.9 1.74 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.439 ' CE1' ' CD1' ' A' ' 16' ' ' TYR . 34.2 m170 -110.99 142.5 43.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.82 -177.19 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.81 -179.91 48.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.7 -37.57 1.33 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.547 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 m -84.2 -72.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.915 0.388 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 72.9 t60 -68.02 135.58 52.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.4 t -103.6 136.67 42.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -51.9 -20.63 2.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -87.5 24.51 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 16.7 m170 -107.28 123.34 48.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -79.33 171.97 14.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.532 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 13.0 mtp -132.78 146.78 52.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -115.28 149.28 38.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.6 m -108.05 -40.35 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -90.67 -65.83 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.813 0.339 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -114.3 102.83 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -94.71 126.69 40.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 13.8 t -46.85 160.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 10.2 mt-30 -69.88 -73.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.463 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 32.1 tp60 -108.43 104.63 14.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.33 156.33 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.2 -72.66 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -134.96 86.19 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -133.4 102.7 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -123.33 142.39 51.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -147.55 162.55 38.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.8 p -104.74 170.02 8.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -42.08 -49.01 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -59.53 -62.69 1.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 m -40.57 -46.15 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.405 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 14.1 t80 -63.43 -53.8 46.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -47.06 -53.62 12.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -65.12 -37.76 88.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.79 110.69 2.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -123.81 149.03 46.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.08 -176.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.85 -179.95 48.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.03 -34.09 1.35 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.1 m -85.69 -71.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 82.3 t60 -70.75 139.37 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.1 t -107.3 139.08 42.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -55.58 -21.18 16.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -86.24 24.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 20.6 m170 -108.1 120.4 42.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -79.89 141.46 36.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.405 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 23.2 mtp -103.34 135.07 45.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -101.26 142.89 32.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.813 0.34 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -83.44 -34.97 25.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.807 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -109.46 -65.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.844 0.354 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 59' ' ' GLU . 1.9 m-85 -113.0 97.45 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -84.82 122.41 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.479 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 12.5 t -50.23 162.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 25.9 mt-30 -71.14 -74.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 26.6 tp60 -108.47 104.88 14.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.22 170.2 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -78.46 -75.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -134.96 85.81 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -133.5 102.28 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -127.37 123.91 37.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.8 mt -130.68 177.78 7.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.482 ' O ' ' C ' ' A' ' 39' ' ' GLN . 21.5 p -108.94 149.7 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 38' ' ' CYS . 11.5 tt0 -31.83 -53.64 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -52.0 -57.79 8.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.7 m -49.93 -51.25 42.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 5.6 t80 -52.99 -56.16 18.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -50.97 -44.86 60.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -61.24 -39.32 89.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.64 96.8 2.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -121.98 141.68 51.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.62 -174.99 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 50' ' ' SER . . . 179.86 178.67 48.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.475 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.69 -31.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' GLY . 3.2 m -93.82 -75.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.829 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.503 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 79.6 t60 -67.05 144.17 56.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.9 t -112.24 153.11 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -66.71 -16.04 63.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.71 23.74 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.503 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 14.8 m170 -104.36 121.17 42.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.442 ' HB2' ' CD ' ' A' ' 30' ' ' GLN . 12.2 mm100 -75.12 160.52 30.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.569 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 19.6 mtp -131.76 141.73 49.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -101.78 122.41 43.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . 1.5 pm0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -95.57 -41.1 9.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -94.15 -70.17 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -122.31 110.75 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -102.93 127.75 50.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.816 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 10.5 t -50.47 159.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.44 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 23.8 mt-30 -67.97 -73.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 1.2 tm0? -108.34 105.26 14.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.4 m -175.22 153.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -65.21 -72.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -133.69 85.31 2.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.518 ' CZ ' ' CD2' ' A' ' 51' ' ' HIS . 12.0 t80 -133.09 102.14 5.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.428 ' O ' HD23 ' A' ' 37' ' ' LEU . 26.2 mp0 -127.59 138.77 52.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 36' ' ' GLN . 96.3 mt -139.64 162.92 33.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.1 p -100.9 172.35 7.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.17 -51.85 7.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' CYS . 42.1 t0 -58.78 -64.42 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.414 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 5.3 m -36.6 -54.13 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -58.26 -59.45 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -41.09 -46.75 3.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -73.1 -39.38 65.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.82 110.07 2.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -123.06 149.52 44.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.43 -175.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.6 -179.85 48.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.87 -30.05 0.33 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.537 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.7 m -90.68 -73.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.595 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 84.2 t60 -70.11 147.77 49.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 t -110.5 139.61 45.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -56.21 -25.08 45.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -74.24 -34.58 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.595 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.0 m170 -47.88 120.77 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -81.87 149.97 28.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.6 mmm -105.69 147.22 28.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -117.32 149.74 39.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.856 0.36 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -114.88 -35.19 4.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -87.97 -44.54 10.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.832 0.349 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -119.77 117.73 28.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -104.39 136.02 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 9.7 t -61.7 159.65 13.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.443 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 10.6 mt-30 -66.71 -76.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.467 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 8.4 tp60 -108.48 105.03 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.06 150.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -59.22 -75.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -132.66 87.68 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.711 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 3.2 t80 -133.59 102.58 5.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -128.65 125.07 37.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.515 HD12 ' SD ' ' A' ' 57' ' ' MET . 66.2 mt -127.57 167.61 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.2 p -114.03 167.22 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -38.38 -54.54 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -60.24 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.8 m -46.7 -64.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 2.9 t80 -47.23 -56.46 6.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -45.41 -44.6 12.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -72.91 -37.89 67.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.73 100.51 1.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -121.13 140.3 52.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.342 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -172.07 -176.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.75 178.58 48.66 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.35 -29.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.466 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' GLY . 20.8 m -88.76 -70.34 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.888 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.711 ' CD2' ' CE2' ' A' ' 35' ' ' TYR . 79.9 t60 -81.1 141.92 33.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.553 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 43.7 t -105.35 128.05 53.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -46.63 -31.44 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.4 -34.95 79.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 27.2 m170 -47.13 116.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -84.31 136.09 34.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.515 ' SD ' HD12 ' A' ' 37' ' ' LEU . 28.8 mtp -104.11 137.45 42.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -107.67 158.25 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.801 0.334 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.4 t -92.13 -31.94 15.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -113.42 -71.34 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.957 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.795 0.331 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -108.29 104.32 13.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -98.56 123.52 42.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.493 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 6.5 t -44.77 162.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 36.0 mt-30 -69.11 -74.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 22.7 tt0 -108.47 104.55 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.02 158.48 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -68.54 -72.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -134.92 86.68 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -133.37 102.55 5.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.449 ' O ' HD23 ' A' ' 37' ' ' LEU . 38.8 mt-30 -123.79 146.57 48.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 36' ' ' GLN . 96.7 mt -149.65 165.82 31.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.15 176.9 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -47.84 -51.52 22.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -61.32 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.407 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 20.8 m -41.49 -48.69 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.476 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 7.0 t80 -63.46 -58.86 5.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -41.14 -41.92 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -80.64 -38.38 29.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.33 116.16 2.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -123.39 149.75 44.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.16 -176.85 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.65 177.13 48.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -37.99 -28.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' GLY . 15.7 m -93.17 -75.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.383 . . . . 0.0 110.87 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 72.4 t60 -67.26 153.66 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.1 t -114.16 148.69 36.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -63.9 -25.34 68.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -75.59 -32.58 60.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 19.1 m170 -48.38 125.89 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -81.65 171.53 14.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.476 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 12.9 mtp -130.73 134.63 47.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -101.01 149.74 23.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.828 0.347 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 t -91.85 -39.42 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -101.39 -73.07 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.803 0.335 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -125.54 120.42 30.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -103.64 146.3 28.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 3.3 t -65.46 161.85 19.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.506 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 22.3 mt-30 -67.4 -76.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.459 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 23.1 tp60 -108.94 104.27 13.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.459 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.44 149.18 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -58.62 -75.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -132.76 86.76 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.607 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 10.8 t80 -132.73 102.45 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.447 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -123.64 151.48 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.675 HD12 ' HE2' ' A' ' 57' ' ' MET . 87.2 mt -152.06 163.03 40.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.6 p -102.92 176.88 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -48.31 -50.83 28.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -58.75 -65.37 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.8 m -37.85 -51.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 8.6 t80 -60.35 -53.15 61.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -47.43 -46.67 26.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -73.62 -38.34 65.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.18 108.47 1.68 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.441 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -121.65 151.1 40.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.795 0.331 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.6 -175.03 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.27 179.13 48.92 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.423 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -41.75 -29.95 0.57 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 m -89.17 -70.37 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 110.88 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.607 ' CD2' ' CE2' ' A' ' 35' ' ' TYR . 83.1 t60 -74.43 143.62 44.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.406 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 11.2 t -104.91 135.32 46.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -54.34 -29.67 48.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -67.68 -34.3 76.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 37.2 m170 -49.27 119.56 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -79.13 156.66 28.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.675 ' HE2' HD12 ' A' ' 37' ' ' LEU . 20.4 mmm -122.68 132.32 54.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -116.51 156.57 26.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.8 0.333 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 m -94.4 -31.67 13.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -109.35 -73.76 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.847 0.356 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -112.47 111.66 22.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.53 123.34 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.1 t -45.58 161.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.477 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 47.4 mt-30 -68.63 -74.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 4.3 tp60 -108.55 104.52 13.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.6 167.61 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -76.65 -74.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -131.94 88.71 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -132.99 102.4 5.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.507 ' O ' HD23 ' A' ' 37' ' ' LEU . 29.0 mt-30 -123.86 143.65 50.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 36' ' ' GLN . 80.6 mt -150.4 157.18 42.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 p -98.64 176.77 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -46.11 -48.77 17.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.68 -64.35 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 24.6 m -38.79 -50.79 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -60.42 -60.93 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -43.6 -42.64 5.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -71.6 -38.31 70.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.33 111.29 2.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . 7.1 m170 -121.96 144.86 48.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.769 0.318 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.69 -177.59 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.76 178.39 48.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.56 -28.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.526 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 48' ' ' GLY . 22.6 t -94.79 -73.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.593 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 72.5 t60 -68.66 150.99 47.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.1 t -114.93 132.44 56.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -49.28 -22.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -76.5 -34.01 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 17.6 m170 -48.62 122.95 6.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 57' ' ' MET . 33.6 tp60 -78.85 160.44 27.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.433 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 47.5 mmm -119.21 133.2 55.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -94.84 144.2 25.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 t -102.5 -27.08 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -103.92 -71.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.445 ' NH1' ' HB2' ' A' ' 26' ' ' ARG . 3.4 ptm85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.336 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 82.6 m-85 -117.84 100.17 7.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -91.94 123.78 35.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 19.1 t -42.98 162.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.454 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 16.8 mt-30 -74.77 -71.47 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 5.3 tp60 -108.34 104.67 14.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.26 170.34 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -78.31 -73.7 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -134.91 87.55 2.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.416 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.1 t80 -133.31 102.65 5.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.433 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -123.8 137.71 54.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' A' ' 41' ' ' CYS . 93.7 mt -144.78 150.08 36.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.1 p -94.92 173.49 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.473 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 33.2 tt0 -45.59 -41.1 9.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -66.53 -64.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.542 ' HB3' HD22 ' A' ' 37' ' ' LEU . 65.6 m -45.38 -53.09 9.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -57.49 -61.82 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 39' ' ' GLN . 6.8 m95 -40.81 -43.37 2.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -70.26 -39.14 75.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.99 106.87 2.08 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -123.57 151.44 42.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.801 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.86 -176.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.85 179.91 48.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -41.11 -33.23 0.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.0 m -87.02 -68.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 77.6 t60 -75.42 137.76 41.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -103.83 129.54 51.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -47.74 -25.23 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -84.03 25.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.59 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 18.7 m170 -106.29 121.22 43.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -78.62 144.99 34.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.0 mtp -111.89 137.04 50.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -95.55 132.28 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 11.2 tm-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.831 0.348 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 m -98.09 -47.63 5.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -87.4 -66.99 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.444 ' CZ ' ' OE1' ' A' ' 36' ' ' GLN . 13.9 ttt180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.819 0.342 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -115.49 117.53 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.2 ttt85 -105.85 129.61 53.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.3 t -50.9 162.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.49 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 28.3 mt-30 -70.33 -74.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.457 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 1.4 tp-100 -108.61 104.68 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.457 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.52 161.01 3.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -71.38 -71.8 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -135.02 87.04 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -133.22 102.57 5.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' OE1' ' CZ ' ' A' ' 26' ' ' ARG . 10.3 mt-30 -123.75 149.37 45.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.454 HD22 ' HB3' ' A' ' 41' ' ' CYS . 44.1 mt -153.25 154.36 34.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.4 p -95.47 171.11 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.585 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 13.1 tt0 -42.79 -47.41 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -63.04 -61.89 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.454 ' HB3' HD22 ' A' ' 37' ' ' LEU . 32.9 m -43.28 -57.29 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -53.98 -56.88 13.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 39' ' ' GLN . 10.2 m0 -43.47 -53.06 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -63.9 -39.32 93.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.52 113.43 3.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -123.75 148.11 46.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.96 -177.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.81 179.24 48.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.32 -29.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' GLY . 11.2 t -91.47 -74.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.598 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 79.5 t60 -67.18 148.26 52.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -112.87 133.19 54.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -50.4 -25.2 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -73.24 -34.66 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.598 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.3 m170 -47.04 127.07 9.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -82.43 164.26 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.9 mtp -126.63 140.15 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -108.25 151.62 25.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 t -96.9 -39.5 9.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -90.99 -70.74 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.8 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.792 0.329 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -119.69 110.47 16.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 -94.54 125.11 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.481 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.7 t -45.0 162.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.481 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 17.0 mt-30 -71.29 -73.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 9.3 tt0 -108.67 104.3 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.13 167.17 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -74.96 -75.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -134.84 87.52 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.476 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.3 t80 -133.25 102.89 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.422 ' O ' HD23 ' A' ' 37' ' ' LEU . 24.7 mt-30 -121.25 142.64 49.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 36' ' ' GLN . 85.1 mt -145.23 161.29 39.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.6 p -105.96 176.28 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -46.06 -50.19 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.3 -62.27 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.8 m -43.38 -44.3 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -63.39 -57.68 9.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -45.13 -45.19 11.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -75.21 -38.76 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.73 113.89 1.47 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -122.94 152.82 40.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.24 -175.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.67 176.33 47.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.88 -30.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' GLY . 49.0 m -92.48 -75.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 110.805 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 82.2 t60 -65.64 154.0 40.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.8 t -119.57 132.06 55.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -49.84 -24.5 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -75.09 -33.39 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 26.4 m170 -49.69 119.18 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.31 143.63 32.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.3 mmm -99.15 134.93 41.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -98.3 142.99 29.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.858 0.361 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t -99.84 -39.74 8.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -97.87 -67.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.93 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.1 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -120.71 123.13 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -99.94 131.14 46.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 2.4 t -50.75 160.79 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 52.6 mt-30 -64.6 -76.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 23.3 tp60 -109.2 104.27 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.72 133.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -43.22 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -133.74 85.31 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.456 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.0 t80 -133.37 103.03 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.441 ' O ' HD23 ' A' ' 37' ' ' LEU . 49.2 mt-30 -122.7 151.94 41.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.576 HD12 ' SD ' ' A' ' 57' ' ' MET . 45.1 mt -150.71 149.65 30.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.0 p -98.97 176.94 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -46.61 -49.58 18.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -61.73 -59.76 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 m -39.89 -56.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -51.29 70.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -45.6 -41.93 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -81.27 -38.74 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.95 111.63 2.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -123.54 142.15 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.51 -175.47 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 51' ' ' HIS . . . -179.93 -179.8 48.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.546 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.83 -28.18 0.65 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.0 m -90.49 -70.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 78.6 t60 -72.22 148.03 45.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 t -112.8 128.01 56.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -46.32 -27.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -70.42 -35.2 73.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.7 m170 -45.41 119.42 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -75.9 172.99 11.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.576 ' SD ' HD12 ' A' ' 37' ' ' LEU . 21.6 mtp -136.71 153.06 50.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -130.13 136.14 48.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.2 t -105.55 -24.27 12.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.518 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 4.8 t80 -98.68 -53.33 3.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.1 mmt-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.811 0.339 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -118.34 108.11 14.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.459 ' NH2' ' NE2' ' A' ' 36' ' ' GLN . 4.6 tpp180 -102.56 132.62 48.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.6 t -54.14 158.81 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -68.74 -74.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.474 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 31.7 tp60 -108.15 104.57 14.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.64 150.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -57.33 -75.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' HA ' ' NH1' ' A' ' 28' ' ' ARG . 6.8 m-80 -134.94 89.03 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.595 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.1 t80 -130.95 102.58 6.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.459 ' NE2' ' NH2' ' A' ' 28' ' ' ARG . 30.5 mt-30 -121.28 141.18 51.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.729 HD12 ' SD ' ' A' ' 57' ' ' MET . 26.0 mt -150.45 165.28 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.4 p -108.48 169.75 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 27.3 tt0 -41.1 -51.68 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -56.84 -61.56 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.477 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 15.9 m -40.8 -53.72 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.528 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 6.1 t80 -61.72 -52.76 62.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 39' ' ' GLN . 8.3 m0 -43.87 -41.45 5.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -79.03 -39.43 33.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.62 101.2 1.98 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.518 ' CE1' ' CE1' ' A' ' 16' ' ' TYR . 17.4 m170 -115.02 153.33 30.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.833 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.07 -177.14 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLY . . . -179.99 -179.81 48.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.89 -36.24 0.31 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.0 m -86.71 -73.6 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.595 ' CG ' ' CE2' ' A' ' 35' ' ' TYR . 76.3 t60 -69.96 139.02 52.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -107.54 134.39 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -50.31 -20.84 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -86.73 24.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 15.6 m170 -108.51 120.19 41.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -85.04 134.86 34.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.729 ' SD ' HD12 ' A' ' 37' ' ' LEU . 29.3 mtp -96.81 159.09 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -124.82 150.87 45.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.1 t -100.14 -31.83 11.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -97.3 -66.53 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.9 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -124.76 107.23 10.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -99.46 127.95 45.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 23.8 t -44.06 160.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.416 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 8.0 mt-30 -71.53 -73.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 30.7 tt0 -108.28 104.61 14.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.28 152.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -60.57 -74.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -135.0 87.2 2.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.428 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 3.9 t80 -133.55 102.73 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -123.55 138.24 54.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.486 HD12 ' CE ' ' A' ' 57' ' ' MET . 22.6 mt -141.42 157.97 44.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 39' ' ' GLN . 20.8 p -105.4 165.8 10.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' CYS . 10.0 tt0 -35.51 -52.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -57.38 -65.76 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 66.2 m -42.44 -47.79 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -61.84 -49.72 75.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -53.79 -45.49 70.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -69.58 -37.27 76.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.07 105.49 1.52 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.435 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -119.86 149.18 42.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.68 -178.26 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.79 176.59 47.63 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.02 -37.17 0.59 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.7 p -81.68 -66.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.826 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 66.7 t60 -79.27 131.36 36.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.7 t -97.23 139.15 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -55.47 -20.21 11.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -85.28 24.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 20.4 m170 -107.48 119.7 40.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -80.12 141.7 35.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.486 ' CE ' HD12 ' A' ' 37' ' ' LEU . 60.0 mmm -99.68 127.71 45.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.24 127.97 44.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.2 p -95.11 -39.5 10.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.4 ' CD1' ' HE1' ' A' ' 46' ' ' HIS . 4.3 t80 -104.55 -73.66 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.8 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.862 0.363 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -119.88 110.55 16.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.52 126.73 45.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 8.5 t -49.98 162.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 27.9 mt-30 -71.96 -74.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.2 tp-100 -108.64 104.86 14.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.59 155.84 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -66.9 -71.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -133.9 86.08 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.434 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.2 t80 -133.42 102.09 5.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 -126.73 120.27 28.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.1 mt -118.41 156.73 28.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 39' ' ' GLN . 20.7 p -100.71 165.29 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 38' ' ' CYS . 20.9 tt0 -35.17 -59.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 41' ' ' CYS . 25.6 t0 -53.37 -66.16 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 40' ' ' ASP . 8.6 m -37.1 -50.07 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.495 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 11.2 t80 -63.55 -51.85 63.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -45.53 -44.36 12.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -80.26 -39.12 29.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.27 116.25 3.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.4 ' HE1' ' CD1' ' A' ' 16' ' ' TYR . 9.7 m170 -124.48 150.4 45.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.37 -176.57 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.65 -179.73 48.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.57 -28.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' GLY . 23.9 m -93.86 -75.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.605 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 83.2 t60 -64.98 153.67 39.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.8 t -119.09 137.58 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -53.1 -26.68 17.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.458 ' HG2' ' N ' ' A' ' 55' ' ' HIS . 1.9 pt20 -72.97 -34.78 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.605 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.2 m170 -48.6 118.36 2.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -75.59 158.02 33.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.495 ' HG3' ' CD1' ' A' ' 42' ' ' PHE . 45.1 mmm -120.88 119.49 32.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.83 144.86 25.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -107.21 -34.89 6.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.431 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 5.0 t80 -90.28 -61.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.828 0.347 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -125.85 119.93 29.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -97.35 134.59 40.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.51 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 5.9 t -54.91 162.85 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.51 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 51.3 mt-30 -70.06 -74.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 11.2 tp60 -109.07 104.8 14.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -173.98 162.29 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -70.94 -72.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.509 ' ND2' HE22 ' A' ' 36' ' ' GLN . 20.5 t-20 -134.98 89.52 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.406 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 6.3 t80 -133.92 102.4 5.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.509 HE22 ' ND2' ' A' ' 34' ' ' ASN . 1.5 mp0 -125.53 111.96 15.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.464 ' HG ' ' HE1' ' A' ' 57' ' ' MET . 80.9 mt -115.52 154.41 29.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.3 p -98.15 168.59 10.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -40.71 -53.11 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.33 -59.02 5.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.8 m -45.06 -52.58 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.574 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 8.3 t80 -61.38 -56.4 20.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.5 m0 -42.8 -41.24 3.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -77.82 -38.17 46.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.2 99.44 1.75 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.431 ' CE1' ' CE1' ' A' ' 16' ' ' TYR . 21.1 m170 -114.83 148.83 37.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.18 -178.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.97 179.68 48.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.89 -31.94 0.32 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.0 m -88.48 -70.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 75.2 t60 -76.52 139.53 40.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.569 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 8.0 t -102.49 134.51 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -53.53 -24.89 14.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -84.76 25.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 30.4 m170 -107.11 119.48 39.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -73.44 160.09 32.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.574 ' HG3' ' CD1' ' A' ' 42' ' ' PHE . 28.3 mmm -128.62 124.29 35.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -102.13 146.26 28.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.809 0.338 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -92.84 -50.78 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -87.72 -72.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.413 ' O ' ' HE3' ' A' ' 57' ' ' MET . 51.7 m-85 -119.38 100.37 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -94.06 123.25 37.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.4 t -42.07 163.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 27.9 mt-30 -69.8 -74.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.438 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 3.3 tp-100 -108.53 104.8 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -173.28 162.06 4.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -73.24 -70.68 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -134.22 85.52 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.489 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.4 t80 -132.82 102.66 5.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -123.24 140.7 52.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.2 mt -147.47 168.08 22.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.569 ' HG ' ' CG ' ' A' ' 40' ' ' ASP . 17.5 p -107.37 174.31 5.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -43.76 -59.86 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.569 ' CG ' ' HG ' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -52.2 -64.36 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' ASP . 5.6 m -35.25 -49.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.555 ' CE1' ' HG2' ' A' ' 57' ' ' MET . 4.3 t80 -69.22 -50.83 43.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -43.45 -42.55 4.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -81.27 -38.86 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.47 111.97 3.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -122.1 156.47 33.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.18 -176.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' GLY . . . -179.74 179.61 48.82 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.88 -36.42 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.6 t -88.38 -75.7 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 67.5 t60 -64.45 145.82 55.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -110.23 151.28 27.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -65.03 -20.04 66.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -90.91 23.82 3.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 19.0 m170 -105.68 121.28 43.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -80.35 155.87 27.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.555 ' HG2' ' CE1' ' A' ' 42' ' ' PHE . 38.8 mmm -115.72 134.81 54.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -109.5 139.08 44.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' CD ' ' H ' ' A' ' 59' ' ' GLU . 2.5 pm0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.868 0.365 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.5 t -102.6 -41.67 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 5.1 t80 -91.05 -69.61 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.876 0.37 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -105.26 100.22 9.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.4 ttp85 -93.53 120.08 33.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 13.4 t -48.22 161.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.466 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 23.4 mt-30 -71.02 -73.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.462 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.8 tt0 -108.41 105.07 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.78 172.75 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.409 ' C ' ' OD1' ' A' ' 34' ' ' ASN . 21.7 m170 -81.97 -72.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 33' ' ' HIS . 5.2 m-20 -135.09 88.2 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.548 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.1 t80 -132.42 102.37 5.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -128.09 117.4 21.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.0 mt -117.44 164.61 14.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 p -106.52 174.13 6.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -44.65 -55.27 5.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' CYS . 29.9 t70 -56.67 -68.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' ASP . 7.7 m -33.84 -55.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -57.73 -51.25 70.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -48.16 -41.89 28.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.471 ' CZ ' ' HA ' ' A' ' 44' ' ' ARG . 2.2 mmp_? -78.47 -39.16 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.73 106.29 2.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -121.36 147.49 45.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.19 -178.74 1.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.67 178.9 48.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.49 -33.71 0.59 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.472 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -82.12 -65.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.594 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 76.8 t60 -85.91 134.49 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.495 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 43.5 t -98.68 128.89 45.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -48.3 -24.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -84.4 25.57 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 18.2 m170 -105.58 119.28 38.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -73.29 142.86 47.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.5 mmm -104.32 157.81 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -118.36 122.38 42.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -170.88 125.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -166.6 167.33 15.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.79 157.68 15.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -102.5 42.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -128.72 42.12 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.46 -88.53 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m -76.66 138.62 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.51 ' CG ' ' O ' ' A' ' 9' ' ' PHE . 1.7 p90 -137.12 119.71 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.446 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 11.7 m170 52.26 54.3 13.7 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 10' ' ' HIS . 54.3 Cg_endo -69.74 -175.81 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.654 HG13 ' CE2' ' A' ' 63' ' ' TRP . 98.8 t -71.98 89.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -121.13 133.84 55.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -67.75 179.15 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.3 t -98.92 -37.73 9.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -98.59 -72.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.4 p -64.52 -13.83 54.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 39.05 53.39 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.6 t -62.76 170.99 2.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -125.33 -44.05 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.8 t -54.98 144.62 22.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.5 mtp -93.14 78.95 4.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.6 mmm -128.44 -49.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.82 -171.15 23.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -140.42 179.46 6.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.559 ' HB2' ' CD1' ' A' ' 63' ' ' TRP . 1.7 tmm_? -84.1 107.49 16.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -112.55 104.21 12.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.963 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -96.83 122.35 39.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 9.7 t -46.5 162.11 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.475 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 41.5 mt-30 -70.25 -73.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.456 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.2 tp-100 -108.18 104.61 14.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.57 168.1 3.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -79.86 -69.89 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -135.01 87.02 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.519 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.5 t80 -133.03 102.35 5.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -124.57 133.7 53.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.473 ' HB2' ' HE2' ' A' ' 57' ' ' MET . 77.7 mt -136.76 170.46 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.7 p -115.04 177.12 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -44.37 -54.03 6.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' CYS . 0.7 OUTLIER -55.63 -69.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' ASP . 59.1 m -37.02 -42.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -68.94 -52.86 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -46.62 -44.71 18.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -80.79 -38.89 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.2 118.53 2.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -125.14 157.61 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.3 -175.75 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.44 179.94 48.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.09 -35.63 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 t -87.15 -71.63 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.594 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 77.0 t60 -71.41 136.96 47.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.7 t -105.84 136.19 45.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -51.03 -20.82 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -86.83 24.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 17.8 m170 -108.54 122.62 47.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -80.66 157.49 25.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.473 ' HE2' ' HB2' ' A' ' 37' ' ' LEU . 32.3 mmm -115.96 144.46 44.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -108.32 144.49 35.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -85.3 125.36 32.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -134.43 155.24 50.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.5 p -115.69 86.99 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 t -130.32 -49.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.654 ' CE2' HG13 ' A' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -154.33 166.37 33.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -107.22 141.62 38.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.57 -171.41 14.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -52.98 162.13 0.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.38 . . . . 0.0 110.885 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -131.74 86.73 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.82 -89.53 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.0 t -41.47 131.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -56.47 -49.6 74.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -92.93 150.62 39.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.582 0.706 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 121.42 8.11 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.377 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.855 HG13 ' HE1' ' A' ' 63' ' ' TRP . 96.9 t -93.42 86.46 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -119.16 159.98 22.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.557 ' HA ' ' CZ3' ' A' ' 63' ' ' TRP . 1.8 t -86.89 -176.81 5.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t -104.1 -41.17 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -97.18 -73.02 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 p -59.7 -17.39 34.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.3 m80 47.4 49.12 16.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.4 t -73.38 149.59 42.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -112.13 -47.51 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.6 t -53.18 131.3 36.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.5 mtt -71.89 89.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.4 ttm -108.69 -58.36 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.58 -125.58 5.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 9.9 m-85 -159.09 -177.57 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.486 ' HB3' ' CE2' ' A' ' 63' ' ' TRP . 3.6 ptp85 -83.85 107.05 16.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 12.7 m-85 -117.27 107.02 13.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.581 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 31.2 ttm180 -94.77 131.23 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.411 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 19.0 t -46.98 159.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 16.3 mt-30 -66.91 -74.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 16.0 tt0 -108.24 105.27 14.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.35 155.63 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -66.9 -73.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -132.06 83.64 2.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.506 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 3.9 t80 -132.84 102.55 5.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -123.43 142.02 51.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD12 ' CE ' ' A' ' 57' ' ' MET . 26.7 mt -148.87 172.43 14.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.9 p -113.47 176.92 4.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -48.62 -48.53 39.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -59.13 -63.81 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.424 ' HB3' HD22 ' A' ' 37' ' ' LEU . 34.2 m -43.03 -48.38 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.518 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 17.7 t80 -61.57 -53.35 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -46.2 -53.88 9.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -65.43 -39.29 91.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.11 112.85 2.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -124.49 155.25 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.31 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.25 -175.05 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.76 179.41 48.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.62 -31.24 0.39 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.5 m -91.32 -73.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 63.3 t60 -66.36 150.85 48.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.422 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 40.1 t -113.45 156.9 22.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -70.7 -23.06 62.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -89.8 24.84 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.55 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 14.2 m170 -103.5 123.31 46.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -81.51 168.82 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.518 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 12.2 mtp -128.14 149.14 50.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -122.65 146.11 47.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.568 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 46.5 mt-10 -77.21 131.81 38.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 28' ' ' ARG . 21.9 m-85 -117.04 175.14 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.8 p -92.72 -46.16 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.3 m -116.55 132.05 56.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.855 ' HE1' HG13 ' A' ' 12' ' ' VAL . 44.6 m95 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 m -133.36 -60.13 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.904 0.383 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -45.0 154.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.54 -139.98 2.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -76.59 -60.32 2.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 t -118.65 140.19 50.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.02 55.7 1.83 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 8' ' ' VAL . 10.2 p -89.2 127.1 42.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.133 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -140.38 161.95 36.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -44.68 150.29 0.71 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.545 0.688 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 6.35 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.733 2.289 . . . . 0.0 112.351 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.613 HG13 ' CZ3' ' A' ' 63' ' ' TRP . 58.2 t -125.27 98.3 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -132.02 169.09 16.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' HB3' ' N ' ' A' ' 18' ' ' HIS . 1.8 t -115.65 175.33 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.9 m -92.63 -60.43 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.439 ' CD1' ' CE1' ' A' ' 46' ' ' HIS . 14.4 t80 -73.91 -68.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 18' ' ' HIS . 1.9 p -68.55 -18.9 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.456 ' C ' ' O ' ' A' ' 17' ' ' CYS . 34.8 p80 33.72 46.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.7 p -74.89 -175.37 2.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 21' ' ' SER . 0.8 OUTLIER -129.93 -39.4 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.425 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 1.8 m -51.77 128.69 24.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.58 82.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.3 tpt -134.35 84.55 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.39 -158.55 18.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -147.19 177.9 8.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.574 ' HG2' ' CZ2' ' A' ' 63' ' ' TRP . 2.6 tmm_? -80.64 118.66 22.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -119.52 109.62 15.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -92.38 126.57 37.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 6.4 t -48.98 162.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.497 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 29.5 mt-30 -68.48 -74.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -108.76 104.69 14.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.15 159.11 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -71.73 -71.4 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -132.61 84.56 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.501 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 3.8 t80 -133.61 102.61 5.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -125.75 133.59 52.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' HB3' ' CB ' ' A' ' 41' ' ' CYS . 23.6 mt -138.5 160.25 40.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' GLN . 20.0 p -101.34 161.72 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' CYS . 3.5 tp-100 -34.95 -51.94 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -57.32 -62.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 18.2 m -41.29 -51.31 3.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.532 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 13.1 t80 -59.29 -54.91 41.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -46.94 -39.64 12.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -74.16 -39.19 63.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.6 94.9 1.74 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.439 ' CE1' ' CD1' ' A' ' 16' ' ' TYR . 34.2 m170 -110.99 142.5 43.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.82 -177.19 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.81 -179.91 48.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.7 -37.57 1.33 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.547 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 m -84.2 -72.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.915 0.388 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 72.9 t60 -68.02 135.58 52.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.4 t -103.6 136.67 42.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -51.9 -20.63 2.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -87.5 24.51 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 16.7 m170 -107.28 123.34 48.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -79.33 171.97 14.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.532 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 13.0 mtp -132.78 146.78 52.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -115.28 149.28 38.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -77.54 134.98 38.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -155.4 168.94 25.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.95 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 61' ' ' THR . 7.4 t -132.58 100.12 4.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.42 ' HB2' ' NH2' ' A' ' 26' ' ' ARG . 7.2 t -110.08 -46.22 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.613 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 4.6 m0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -113.95 108.32 16.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.877 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -134.37 -61.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.31 -85.78 0.2 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 m 53.62 41.92 31.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.844 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -132.53 147.47 52.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.25 -162.89 26.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.557 HG23 ' N ' ' A' ' 9' ' ' PHE . 25.0 m -64.8 -50.01 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 0.0 111.195 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.557 ' N ' HG23 ' A' ' 8' ' ' VAL . 72.4 m-85 -146.06 135.4 22.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -82.01 140.56 46.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.552 0.691 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 154.27 67.87 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.483 HG11 ' O ' ' A' ' 22' ' ' MET . 90.3 t -53.05 92.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.583 ' O ' ' CZ3' ' A' ' 63' ' ' TRP . 17.1 mt-10 -123.15 138.94 54.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.403 ' HA ' ' CZ2' ' A' ' 63' ' ' TRP . 1.8 t -81.13 -178.7 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.6 m -108.05 -40.35 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -90.67 -65.83 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.9 p -72.49 -16.8 61.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.4 m80 44.88 51.91 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.3 t -66.27 172.42 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -123.57 -48.26 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' MET . 7.7 t -46.32 128.26 9.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.483 ' O ' HG11 ' A' ' 12' ' ' VAL . 6.4 tpt -37.18 -48.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -41.37 137.33 1.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.63 104.83 2.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -84.15 179.68 7.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.892 0.377 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.534 ' HG2' ' CE2' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -91.06 107.52 19.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -114.3 102.83 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -94.71 126.69 40.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 13.8 t -46.85 160.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 10.2 mt-30 -69.88 -73.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 32.1 tp60 -108.43 104.63 14.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.33 156.33 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.2 -72.66 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -134.96 86.19 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -133.4 102.7 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -123.33 142.39 51.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -147.55 162.55 38.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.8 p -104.74 170.02 8.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -42.08 -49.01 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -59.53 -62.69 1.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 m -40.57 -46.15 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.405 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 14.1 t80 -63.43 -53.8 46.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -47.06 -53.62 12.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -65.12 -37.76 88.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.79 110.69 2.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -123.81 149.03 46.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.08 -176.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.85 -179.95 48.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.03 -34.09 1.35 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.1 m -85.69 -71.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 82.3 t60 -70.75 139.37 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.1 t -107.3 139.08 42.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -55.58 -21.18 16.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -86.24 24.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 20.6 m170 -108.1 120.4 42.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -79.89 141.46 36.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.405 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 23.2 mtp -103.34 135.07 45.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -101.26 142.89 32.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -89.58 123.22 33.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -114.86 160.37 19.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.6 m -40.76 -64.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.164 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.4 p -174.87 156.1 2.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.583 ' CZ3' ' O ' ' A' ' 13' ' ' GLU . 9.1 m-90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 t -140.18 168.78 19.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -171.02 119.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.09 159.65 2.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.511 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 p -129.24 126.71 39.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.825 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p -171.94 131.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.09 -129.42 2.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 8' ' ' VAL . 24.5 m -118.22 82.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.859 0.362 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -140.57 156.51 46.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -100.2 153.81 37.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.807 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 86.19 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.445 HG11 ' HA ' ' A' ' 23' ' ' MET . 61.3 t -133.11 89.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -131.48 141.85 49.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.446 ' H ' ' N ' ' A' ' 19' ' ' SER . 3.8 t -52.99 175.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -83.44 -34.97 25.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.807 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -109.46 -65.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' HIS . 4.8 p -68.21 -2.04 7.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' CYS . 30.9 p80 35.32 53.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.446 ' N ' ' H ' ' A' ' 14' ' ' CYS . 8.1 t -50.59 -177.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 21' ' ' SER . 2.9 pp20? -127.29 -28.24 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 20' ' ' GLU . 74.4 p -33.88 137.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 23' ' ' MET . 37.8 tpp -53.51 169.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.445 ' HA ' HG11 ' A' ' 12' ' ' VAL . 5.1 tpt -36.19 152.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.462 ' C ' ' CG ' ' A' ' 25' ' ' PHE . . . 102.2 161.33 26.37 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.745 ' CG ' ' CE3' ' A' ' 63' ' ' TRP . 0.7 OUTLIER 73.86 54.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -117.25 128.61 55.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 59' ' ' GLU . 1.9 m-85 -113.0 97.45 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -84.82 122.41 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.479 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 12.5 t -50.23 162.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 25.9 mt-30 -71.14 -74.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 26.6 tp60 -108.47 104.88 14.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.22 170.2 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -78.46 -75.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -134.96 85.81 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -133.5 102.28 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -127.37 123.91 37.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.8 mt -130.68 177.78 7.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.482 ' O ' ' C ' ' A' ' 39' ' ' GLN . 21.5 p -108.94 149.7 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 38' ' ' CYS . 11.5 tt0 -31.83 -53.64 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -52.0 -57.79 8.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.7 m -49.93 -51.25 42.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 5.6 t80 -52.99 -56.16 18.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -50.97 -44.86 60.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -61.24 -39.32 89.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.64 96.8 2.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -121.98 141.68 51.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.62 -174.99 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 50' ' ' SER . . . 179.86 178.67 48.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.475 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.69 -31.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' GLY . 3.2 m -93.82 -75.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.829 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.503 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 79.6 t60 -67.05 144.17 56.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.9 t -112.24 153.11 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -66.71 -16.04 63.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.71 23.74 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.503 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 14.8 m170 -104.36 121.17 42.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.442 ' HB2' ' CD ' ' A' ' 30' ' ' GLN . 12.2 mm100 -75.12 160.52 30.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.569 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 19.6 mtp -131.76 141.73 49.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -101.78 122.41 43.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . 1.5 pm0 -89.52 124.97 35.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -91.85 105.03 17.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 61' ' ' THR . 16.7 m 42.38 29.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' A' ' 25' ' ' PHE . 83.4 p -55.25 -175.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.745 ' CE3' ' CG ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 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 1.452 -0.289 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 p -138.18 153.05 49.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 m -73.97 112.22 9.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.75 68.66 0.23 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -153.4 110.99 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 m -44.68 146.31 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.51 -169.92 53.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.0 m -121.92 40.0 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -107.67 127.16 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -143.0 151.7 56.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.547 0.689 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -178.7 2.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.476 HG21 ' HA ' ' A' ' 22' ' ' MET . 78.9 t -82.44 88.93 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -127.55 119.93 27.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.13 178.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -95.57 -41.1 9.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -94.15 -70.17 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.2 p -66.12 -16.27 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 42.71 49.76 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 m -59.21 179.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 21' ' ' SER . 2.7 pm0 -127.1 -37.2 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 1.8 m -48.82 122.37 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.476 ' HA ' HG21 ' A' ' 12' ' ' VAL . 19.1 ptm -104.9 103.06 12.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.582 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 30.8 mtt -126.48 -47.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.47 61.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 23' ' ' MET . 28.0 m-85 -124.54 107.54 11.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.572 ' CD ' ' CE2' ' A' ' 63' ' ' TRP . 18.1 mmt85 -136.63 108.11 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -122.31 110.75 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -102.93 127.75 50.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.816 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 10.5 t -50.47 159.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 23.8 mt-30 -67.97 -73.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.463 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 1.2 tm0? -108.34 105.26 14.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.4 m -175.22 153.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -65.21 -72.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -133.69 85.31 2.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.518 ' CZ ' ' CD2' ' A' ' 51' ' ' HIS . 12.0 t80 -133.09 102.14 5.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.563 ' HB3' ' CE3' ' A' ' 63' ' ' TRP . 26.2 mp0 -127.59 138.77 52.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 36' ' ' GLN . 96.3 mt -139.64 162.92 33.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.1 p -100.9 172.35 7.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.17 -51.85 7.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' CYS . 42.1 t0 -58.78 -64.42 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.414 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 5.3 m -36.6 -54.13 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -58.26 -59.45 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -41.09 -46.75 3.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -73.1 -39.38 65.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.82 110.07 2.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -123.06 149.52 44.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.43 -175.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.6 -179.85 48.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.87 -30.05 0.33 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.537 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.7 m -90.68 -73.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.595 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 84.2 t60 -70.11 147.77 49.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 t -110.5 139.61 45.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -56.21 -25.08 45.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -74.24 -34.58 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.595 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.0 m170 -47.88 120.77 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -81.87 149.97 28.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.6 mmm -105.69 147.22 28.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -117.32 149.74 39.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.75 124.18 27.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -119.77 171.33 8.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.0 m -78.22 -58.31 3.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 63' ' ' TRP . 17.2 m -134.06 145.0 48.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.572 ' CE2' ' CD ' ' A' ' 26' ' ' ARG . 22.2 m95 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 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 -0.31 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -94.66 134.71 36.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 4' ' ' GLY . 47.4 t -120.08 121.64 39.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.07 -43.11 0.42 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t 66.72 42.36 2.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -133.85 93.23 3.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.66 64.51 0.26 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -85.11 142.81 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.371 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 11' ' ' PRO . 53.1 t80 -93.47 85.47 4.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.439 ' CE1' HG21 ' A' ' 12' ' ' VAL . 9.5 t-80 -120.75 69.28 16.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.619 0.723 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 9' ' ' PHE . 54.2 Cg_endo -69.71 102.37 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.718 2.279 . . . . 0.0 112.362 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.47 HG22 ' CZ ' ' A' ' 26' ' ' ARG . 56.7 t -125.71 81.43 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -122.41 103.66 8.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.34 -179.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -114.88 -35.19 4.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -87.97 -44.54 10.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' HIS . 14.3 p -110.82 9.4 22.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' CYS . 70.9 m-70 34.4 37.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' CYS . 27.3 t -39.64 148.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -118.78 -39.72 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 t -59.14 157.92 9.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 23' ' ' MET . 2.7 ttt -58.12 -55.58 33.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 22' ' ' MET . 5.1 ttt -37.26 152.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.5 100.24 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -80.25 177.46 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.326 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.482 ' HB3' ' CE2' ' A' ' 63' ' ' TRP . 4.0 mpt_? -87.52 114.24 23.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -119.77 117.73 28.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.407 ' HB3' ' CD2' ' A' ' 60' ' ' TYR . 26.6 ttt180 -104.39 136.02 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 9.7 t -61.7 159.65 13.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.443 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 10.6 mt-30 -66.71 -76.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.467 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 8.4 tp60 -108.48 105.03 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.06 150.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -59.22 -75.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -132.66 87.68 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.711 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 3.2 t80 -133.59 102.58 5.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.698 ' NE2' ' CD1' ' A' ' 63' ' ' TRP . 17.2 mt-30 -128.65 125.07 37.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.515 HD12 ' SD ' ' A' ' 57' ' ' MET . 66.2 mt -127.57 167.61 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.2 p -114.03 167.22 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -38.38 -54.54 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -60.24 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.8 m -46.7 -64.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 2.9 t80 -47.23 -56.46 6.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -45.41 -44.6 12.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -72.91 -37.89 67.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.73 100.51 1.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -121.13 140.3 52.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.342 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -172.07 -176.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.75 178.58 48.66 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.35 -29.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.466 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' GLY . 20.8 m -88.76 -70.34 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.888 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.711 ' CD2' ' CE2' ' A' ' 35' ' ' TYR . 79.9 t60 -81.1 141.92 33.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.553 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 43.7 t -105.35 128.05 53.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -46.63 -31.44 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.4 -34.95 79.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 27.2 m170 -47.13 116.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -84.31 136.09 34.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.515 ' SD ' HD12 ' A' ' 37' ' ' LEU . 28.8 mtp -104.11 137.45 42.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -107.67 158.25 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -69.26 125.79 27.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' A' ' 28' ' ' ARG . 18.8 m-85 -137.83 -179.67 5.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 62' ' ' SER . 8.9 t -133.92 -41.14 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.126 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 61' ' ' THR . 22.8 t -55.54 97.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.698 ' CD1' ' NE2' ' A' ' 36' ' ' GLN . 4.3 m0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 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 1.452 -0.288 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -145.12 130.98 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 t -98.43 150.36 21.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.77 40.82 2.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -85.9 145.22 27.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 p -98.89 134.35 41.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.57 51.62 1.03 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.452 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 8' ' ' VAL . 32.8 m -86.93 49.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 111.087 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -87.47 20.79 2.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.554 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 1.8 t60 -69.36 -56.46 8.35 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 10' ' ' HIS . 53.9 Cg_endo -69.74 -172.77 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.846 HG13 ' CZ3' ' A' ' 63' ' ' TRP . 98.2 t -125.16 96.75 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -120.43 118.13 29.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.58 -179.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.4 t -92.13 -31.94 15.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 5.3 t80 -113.42 -71.34 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.957 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.6 p -59.67 -13.2 8.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 16' ' ' TYR . 55.5 m80 38.03 52.27 1.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 t -57.83 173.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.82 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -125.59 -40.97 2.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 t -46.1 143.63 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.7 ttm -62.48 91.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.438 ' H ' HG11 ' A' ' 12' ' ' VAL . 9.2 mtt -125.22 86.4 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.42 56.05 2.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -127.85 91.6 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.485 ' HB2' ' NE1' ' A' ' 63' ' ' TRP . 21.2 tpp85 -91.03 111.64 23.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -108.29 104.32 13.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -98.56 123.52 42.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.493 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 6.5 t -44.77 162.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 36.0 mt-30 -69.11 -74.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 22.7 tt0 -108.47 104.55 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.02 158.48 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -68.54 -72.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -134.92 86.68 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -133.37 102.55 5.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.449 ' O ' HD23 ' A' ' 37' ' ' LEU . 38.8 mt-30 -123.79 146.57 48.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 36' ' ' GLN . 96.7 mt -149.65 165.82 31.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.15 176.9 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -47.84 -51.52 22.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -61.32 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.407 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 20.8 m -41.49 -48.69 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.476 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 7.0 t80 -63.46 -58.86 5.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -41.14 -41.92 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -80.64 -38.38 29.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.33 116.16 2.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -123.39 149.75 44.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.16 -176.85 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.65 177.13 48.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -37.99 -28.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' GLY . 15.7 m -93.17 -75.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.383 . . . . 0.0 110.87 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 72.4 t60 -67.26 153.66 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.1 t -114.16 148.69 36.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -63.9 -25.34 68.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -75.59 -32.58 60.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 19.1 m170 -48.38 125.89 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -81.65 171.53 14.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.476 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 12.9 mtp -130.73 134.63 47.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -101.01 149.74 23.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -90.49 130.84 36.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -121.13 146.89 46.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.6 p -113.38 81.33 1.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.173 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.0 m -130.25 -56.75 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.846 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -39.83 146.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.826 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -143.81 169.23 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.82 -93.22 2.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t 63.75 42.46 6.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -72.89 134.43 44.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.53 -150.87 16.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.28 -37.83 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 111.118 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -51.56 129.32 25.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.501 ' CD2' ' H ' ' A' ' 10' ' ' HIS . 0.3 OUTLIER -112.16 81.32 3.73 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.834 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -179.28 2.79 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.611 2.207 . . . . 0.0 112.353 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.601 HG11 ' H ' ' A' ' 23' ' ' MET . 95.8 t -51.82 94.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -124.88 152.56 43.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -103.46 -179.61 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 t -91.85 -39.42 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -101.39 -73.07 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.6 p -58.88 -14.83 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 38.21 51.25 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.807 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -64.3 175.67 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' SER . 2.9 pp20? -134.99 -44.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' GLU . 17.7 p -37.5 109.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.7 ttt -46.77 106.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.601 ' H ' HG11 ' A' ' 12' ' ' VAL . 4.2 mmt -147.16 132.59 18.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . -76.39 86.85 0.92 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.459 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 23' ' ' MET . 56.4 m-85 -149.64 105.16 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 0.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.436 ' NH2' HG23 ' A' ' 61' ' ' THR . 0.0 OUTLIER -138.27 107.96 6.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -125.54 120.42 30.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -103.64 146.3 28.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 3.3 t -65.46 161.85 19.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.506 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 22.3 mt-30 -67.4 -76.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.46 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 23.1 tp60 -108.94 104.27 13.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.44 149.18 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -58.62 -75.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -132.76 86.76 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.607 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 10.8 t80 -132.73 102.45 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.447 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -123.64 151.48 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.675 HD12 ' HE2' ' A' ' 57' ' ' MET . 87.2 mt -152.06 163.03 40.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.6 p -102.92 176.88 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -48.31 -50.83 28.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -58.75 -65.37 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.8 m -37.85 -51.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 8.6 t80 -60.35 -53.15 61.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -47.43 -46.67 26.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -73.62 -38.34 65.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.18 108.47 1.68 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.441 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -121.65 151.1 40.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.795 0.331 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.6 -175.03 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.27 179.13 48.92 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.423 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -41.75 -29.95 0.57 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 m -89.17 -70.37 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 110.88 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.607 ' CD2' ' CE2' ' A' ' 35' ' ' TYR . 83.1 t60 -74.43 143.62 44.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.406 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 11.2 t -104.91 135.32 46.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -54.34 -29.67 48.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -67.68 -34.3 76.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 37.2 m170 -49.27 119.56 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -79.13 156.66 28.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.675 ' HE2' HD12 ' A' ' 37' ' ' LEU . 20.4 mmm -122.68 132.32 54.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.7 mptm? -116.51 156.57 26.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 2.8 pp20? -68.88 135.25 50.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.491 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 63.7 m-85 -156.71 127.93 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.436 HG23 ' NH2' ' A' ' 26' ' ' ARG . 23.1 m -76.66 79.76 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.2 m -87.22 -66.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.447 ' C ' ' CD1' ' A' ' 63' ' ' TRP . 1.5 p90 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 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 -0.356 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -168.84 171.47 8.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -50.73 157.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.23 160.77 30.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 p -167.88 149.4 5.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -71.29 171.24 11.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.03 -92.64 0.38 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.5 m -45.75 147.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 111.117 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -48.03 167.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -54.3 113.48 5.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.605 0.717 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 157.82 59.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.554 HG13 ' CH2' ' A' ' 63' ' ' TRP . 90.7 t -89.03 83.58 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.141 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -122.52 125.83 46.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.98 178.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 m -94.4 -31.67 13.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -109.35 -73.76 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 p -59.99 -14.23 15.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 39.3 50.6 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.1 t -70.19 169.68 13.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -128.49 -45.95 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t -39.0 143.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.33 44.05 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 mmt -119.66 44.9 2.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.75 178.89 41.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -143.47 -177.15 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.906 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.586 ' HB2' ' CD1' ' A' ' 63' ' ' TRP . 8.3 tpt180 -97.59 109.44 22.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -112.47 111.66 22.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.53 123.34 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.1 t -45.58 161.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.477 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 47.4 mt-30 -68.63 -74.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 4.3 tp60 -108.55 104.52 13.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.6 167.61 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -76.65 -74.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -131.94 88.71 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -132.99 102.4 5.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.507 ' O ' HD23 ' A' ' 37' ' ' LEU . 29.0 mt-30 -123.86 143.65 50.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 36' ' ' GLN . 80.6 mt -150.4 157.18 42.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 p -98.64 176.77 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -46.11 -48.77 17.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.68 -64.35 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 24.6 m -38.79 -50.79 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -60.42 -60.93 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -43.6 -42.64 5.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -71.6 -38.31 70.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.33 111.29 2.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . 7.1 m170 -121.96 144.86 48.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.769 0.318 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.69 -177.59 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.76 178.39 48.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.56 -28.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.526 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 48' ' ' GLY . 22.6 t -94.79 -73.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.593 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 72.5 t60 -68.66 150.99 47.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.1 t -114.93 132.44 56.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -49.28 -22.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -76.5 -34.01 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 17.6 m170 -48.62 122.95 6.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 57' ' ' MET . 33.6 tp60 -78.85 160.44 27.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.433 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 47.5 mmm -119.21 133.2 55.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -94.84 144.2 25.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -82.94 134.13 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -120.73 116.0 24.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.6 p -92.82 44.19 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.1 t -104.72 -46.02 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.586 ' CD1' ' HB2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 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 -0.331 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.2 p -162.15 168.09 23.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -158.46 138.5 12.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.08 -128.51 3.38 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 t -163.49 138.74 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -123.87 98.53 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.32 157.49 11.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.3 t -85.25 87.21 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -91.93 161.24 14.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -114.51 153.32 46.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 91.27 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.644 HG13 ' CG ' ' A' ' 63' ' ' TRP . 69.9 t -111.51 89.34 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -127.69 171.06 12.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 t -95.76 175.82 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 t -102.5 -27.08 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -103.92 -71.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 p -68.08 -14.05 62.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 40.93 51.09 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.6 p -75.46 179.34 5.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -123.55 -44.0 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 t -43.67 138.59 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 37.5 ttm -91.55 45.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.5 tmm? -107.37 81.22 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.45 ' O ' ' CZ3' ' A' ' 63' ' ' TRP . . . 142.38 -166.82 26.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -141.4 173.86 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.586 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . 3.4 ptm85 -84.82 122.39 29.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 82.6 m-85 -117.84 100.17 7.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -91.94 123.78 35.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 19.1 t -42.98 162.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 16.8 mt-30 -74.77 -71.47 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 5.3 tp60 -108.34 104.67 14.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.26 170.34 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -78.31 -73.7 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -134.91 87.55 2.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.416 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.1 t80 -133.31 102.65 5.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.433 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -123.8 137.71 54.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' A' ' 41' ' ' CYS . 93.7 mt -144.78 150.08 36.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.1 p -94.92 173.49 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 33.2 tt0 -45.59 -41.1 9.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -66.53 -64.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.542 ' HB3' HD22 ' A' ' 37' ' ' LEU . 65.6 m -45.38 -53.09 9.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -57.49 -61.82 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 39' ' ' GLN . 6.8 m95 -40.81 -43.37 2.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -70.26 -39.14 75.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.99 106.87 2.08 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -123.57 151.44 42.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.801 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.86 -176.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.85 179.91 48.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -41.11 -33.23 0.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.0 m -87.02 -68.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 77.6 t60 -75.42 137.76 41.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -103.83 129.54 51.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -47.74 -25.23 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -84.03 25.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.59 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 18.7 m170 -106.29 121.22 43.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -78.62 144.99 34.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.0 mtp -111.89 137.04 50.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -95.55 132.28 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 11.2 tm-20 -86.79 137.54 32.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.441 ' HB2' ' CD ' ' A' ' 26' ' ' ARG . 46.8 m-85 -127.18 138.86 53.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.8 t -83.86 27.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.5 m -117.91 37.27 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.644 ' CG ' HG13 ' A' ' 12' ' ' VAL . 1.9 t90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.51 159.41 29.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.834 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -128.52 176.01 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.38 120.96 0.59 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -64.44 151.49 44.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 0.0 110.864 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 p -75.09 151.45 38.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.45 -165.36 11.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.431 HG12 ' H ' ' A' ' 10' ' ' HIS . 41.4 t -75.41 141.39 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -98.23 35.24 1.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.534 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 3.6 t60 -69.6 -58.17 6.01 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.623 0.725 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 10' ' ' HIS . 53.7 Cg_endo -69.75 -172.61 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.73 2.286 . . . . 0.0 112.287 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.631 HG13 ' CZ3' ' A' ' 63' ' ' TRP . 87.7 t -74.86 106.24 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.597 ' O ' ' CZ2' ' A' ' 63' ' ' TRP . 30.7 mm-40 -118.69 -174.58 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.9 179.33 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 m -98.09 -47.63 5.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.513 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 32.0 t80 -87.4 -66.99 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 18' ' ' HIS . 3.4 p -67.4 -19.15 65.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.513 ' CE1' ' O ' ' A' ' 16' ' ' TYR . 0.6 OUTLIER 28.79 49.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 t -72.93 177.0 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 21' ' ' SER . 4.1 pt-20 -115.36 -33.82 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 8.1 t -48.87 135.87 14.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.9 ttt -80.17 99.35 7.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.3 ptp -175.2 137.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.69 173.45 36.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -128.74 169.87 14.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HB2' ' CE2' ' A' ' 63' ' ' TRP . 13.9 ttt180 -80.75 113.8 19.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -115.49 117.53 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.2 ttt85 -105.85 129.61 53.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.3 t -50.9 162.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.49 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 28.3 mt-30 -70.33 -74.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.462 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 1.4 tp-100 -108.61 104.68 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.52 161.01 3.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -71.38 -71.8 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -135.02 87.04 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -133.22 102.57 5.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' OE1' ' CZ ' ' A' ' 26' ' ' ARG . 10.3 mt-30 -123.75 149.37 45.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD22 ' HB3' ' A' ' 41' ' ' CYS . 44.1 mt -153.25 154.36 34.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.4 p -95.47 171.11 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.585 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 13.1 tt0 -42.79 -47.41 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -63.04 -61.89 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.454 ' HB3' HD22 ' A' ' 37' ' ' LEU . 32.9 m -43.28 -57.29 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -53.98 -56.88 13.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 39' ' ' GLN . 10.2 m0 -43.47 -53.06 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -63.9 -39.32 93.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.52 113.43 3.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -123.75 148.11 46.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.96 -177.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.81 179.24 48.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.32 -29.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' GLY . 11.2 t -91.47 -74.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.598 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 79.5 t60 -67.18 148.26 52.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -112.87 133.19 54.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -50.4 -25.2 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -73.24 -34.66 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.598 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.3 m170 -47.04 127.07 9.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -82.43 164.26 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.9 mtp -126.63 140.15 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -108.25 151.62 25.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -90.13 134.78 34.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -142.03 129.93 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.8 m -96.18 86.72 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 63' ' ' TRP . 28.3 p -116.32 -43.58 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.631 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 40.5 m0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 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 1.452 -0.299 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 p -167.07 116.81 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 110.84 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -160.4 164.04 32.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.17 88.55 0.59 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.534 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -110.89 90.45 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t -50.1 132.3 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.99 -93.03 0.48 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.1 t -74.86 -57.47 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -144.91 153.52 41.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -80.43 118.11 70.88 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.82 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -179.76 3.16 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.709 2.272 . . . . 0.0 112.323 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.747 HG13 ' CH2' ' A' ' 63' ' ' TRP . 52.0 t -100.35 89.33 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -114.68 131.3 56.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t -79.88 173.57 12.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 t -96.9 -39.5 9.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -90.99 -70.74 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.8 p -69.11 -15.42 63.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 44.31 52.75 7.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 t -70.83 177.89 3.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -129.12 -32.28 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 t -57.08 140.35 49.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 23' ' ' MET . 6.1 ttt -63.8 -45.19 90.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' MET . 11.3 ttt -36.41 105.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.36 161.04 10.7 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 28.1 m-85 -131.85 170.39 14.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.579 ' HG3' ' CZ2' ' A' ' 63' ' ' TRP . 9.2 mtp180 -82.96 116.87 22.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.43 ' CZ ' ' HB2' ' A' ' 25' ' ' PHE . 38.9 m-85 -119.69 110.47 16.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.541 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 24.5 ttm180 -94.54 125.11 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.481 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.7 t -45.0 162.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.481 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 17.0 mt-30 -71.29 -73.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 9.3 tt0 -108.67 104.3 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.13 167.17 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -74.96 -75.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -134.84 87.52 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.3 t80 -133.25 102.89 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.422 ' O ' HD23 ' A' ' 37' ' ' LEU . 24.7 mt-30 -121.25 142.64 49.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 36' ' ' GLN . 85.1 mt -145.23 161.29 39.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.6 p -105.96 176.28 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -46.06 -50.19 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.3 -62.27 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.8 m -43.38 -44.3 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -63.39 -57.68 9.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -45.13 -45.19 11.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -75.21 -38.76 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.73 113.89 1.47 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -122.94 152.82 40.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.24 -175.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.67 176.33 47.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.88 -30.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' GLY . 49.0 m -92.48 -75.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 110.805 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 82.2 t60 -65.64 154.0 40.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.8 t -119.57 132.06 55.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -49.84 -24.5 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -75.09 -33.39 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 26.4 m170 -49.69 119.18 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.31 143.63 32.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.3 mmm -99.15 134.93 41.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -98.3 142.99 29.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -73.8 124.64 26.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.541 ' CE1' ' HB3' ' A' ' 28' ' ' ARG . 11.8 m-85 -117.28 122.35 43.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.8 p -79.76 80.97 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.447 ' OG ' ' CZ ' ' A' ' 26' ' ' ARG . 44.1 t -104.21 -60.02 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.85 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.747 ' CH2' HG13 ' A' ' 12' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 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 -0.315 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' SER . 2.9 m 62.73 42.14 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.856 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' SER . 21.3 m 37.89 42.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.81 115.75 5.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -56.31 140.01 46.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.362 . . . . 0.0 110.902 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.1 m -85.95 119.34 26.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.62 101.33 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.443 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -107.8 168.59 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 111.097 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -90.18 -53.26 4.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -134.34 141.63 39.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.57 0.7 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 134.33 27.79 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.842 HG21 ' O ' ' A' ' 22' ' ' MET . 67.0 t -124.74 87.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -119.94 130.47 54.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.12 -175.97 1.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.437 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 6.8 t -99.84 -39.74 8.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -97.87 -67.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.93 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.1 p -68.26 -14.76 63.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 15' ' ' SER . 13.3 m-70 41.48 49.83 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -55.83 174.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' SER . 10.5 pt-20 -123.29 -42.22 2.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' GLU . 1.5 t -36.96 155.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.842 ' O ' HG21 ' A' ' 12' ' ' VAL . 2.1 tmt? -66.82 -39.64 87.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.474 ' O ' HG11 ' A' ' 12' ' ' VAL . 56.3 mtp -33.49 110.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.33 -101.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 63.93 45.83 4.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -86.46 114.81 23.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -120.71 123.13 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -99.94 131.14 46.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 2.4 t -50.75 160.79 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 52.6 mt-30 -64.6 -76.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 23.3 tp60 -109.2 104.27 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.72 133.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -43.22 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -133.74 85.31 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.456 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.0 t80 -133.37 103.03 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' O ' HD23 ' A' ' 37' ' ' LEU . 49.2 mt-30 -122.7 151.94 41.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.576 HD12 ' SD ' ' A' ' 57' ' ' MET . 45.1 mt -150.71 149.65 30.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.0 p -98.97 176.94 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -46.61 -49.58 18.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -61.73 -59.76 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 m -39.89 -56.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -51.29 70.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -45.6 -41.93 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -81.27 -38.74 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.95 111.63 2.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -123.54 142.15 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.51 -175.47 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 51' ' ' HIS . . . -179.93 -179.8 48.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.546 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.83 -28.18 0.65 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.0 m -90.49 -70.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 78.6 t60 -72.22 148.03 45.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 t -112.8 128.01 56.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -46.32 -27.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -70.42 -35.2 73.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.7 m170 -45.41 119.42 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -75.9 172.99 11.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.576 ' SD ' HD12 ' A' ' 37' ' ' LEU . 21.6 mtp -136.71 153.06 50.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -130.13 136.14 48.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -69.01 136.34 52.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -131.16 174.37 10.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.4 p -112.32 38.5 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.7 t -80.04 -58.86 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.415 ' C ' ' HD2' ' A' ' 26' ' ' ARG . 70.0 p-90 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -87.39 -60.83 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 t -151.41 150.97 31.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.02 78.24 1.35 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -80.74 -59.77 2.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.942 0.401 . . . . 0.0 110.84 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -160.59 153.28 20.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.95 103.01 0.92 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -91.93 39.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.102 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -108.62 -61.05 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -78.64 129.38 74.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.42 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.87 3.86 2.57 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.32 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.795 HG13 ' NH1' ' A' ' 26' ' ' ARG . 35.1 t -123.92 95.61 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -123.62 127.59 48.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.472 ' HB3' ' N ' ' A' ' 18' ' ' HIS . 3.9 t -71.81 174.22 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.2 t -105.55 -24.27 12.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.518 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 4.8 t80 -98.68 -53.33 3.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.565 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 19.6 p -103.84 1.68 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 1.1 p-80 30.92 54.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 t -80.51 162.16 24.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -116.55 -37.51 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -44.29 147.96 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.1 ttt -87.68 48.81 1.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -116.42 42.25 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.9 -170.33 38.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -151.49 -178.6 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.795 ' NH1' HG13 ' A' ' 12' ' ' VAL . 32.1 mmt-85 -84.5 106.94 16.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -118.34 108.11 14.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.503 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 4.6 tpp180 -102.56 132.62 48.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.6 t -54.14 158.81 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -68.74 -74.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.48 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 31.7 tp60 -108.15 104.57 14.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.64 150.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -57.33 -75.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' HA ' ' NH1' ' A' ' 28' ' ' ARG . 6.8 m-80 -134.94 89.03 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.595 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.1 t80 -130.95 102.58 6.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.503 ' HG2' ' CD1' ' A' ' 63' ' ' TRP . 30.5 mt-30 -121.28 141.18 51.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.729 HD12 ' SD ' ' A' ' 57' ' ' MET . 26.0 mt -150.45 165.28 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.4 p -108.48 169.75 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 27.3 tt0 -41.1 -51.68 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -56.84 -61.56 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.477 ' CB ' ' HB3' ' A' ' 37' ' ' LEU . 15.9 m -40.8 -53.72 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.528 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 6.1 t80 -61.72 -52.76 62.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 39' ' ' GLN . 8.3 m0 -43.87 -41.45 5.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -79.03 -39.43 33.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.62 101.2 1.98 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.518 ' CE1' ' CE1' ' A' ' 16' ' ' TYR . 17.4 m170 -115.02 153.33 30.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.833 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.07 -177.14 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLY . . . -179.99 -179.81 48.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.89 -36.24 0.31 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.0 m -86.71 -73.6 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.595 ' CG ' ' CE2' ' A' ' 35' ' ' TYR . 76.3 t60 -69.96 139.02 52.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -107.54 134.39 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -50.31 -20.84 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -86.73 24.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 15.6 m170 -108.51 120.19 41.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -85.04 134.86 34.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.729 ' SD ' HD12 ' A' ' 37' ' ' LEU . 29.3 mtp -96.81 159.09 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -124.82 150.87 45.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -85.82 133.32 33.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.503 ' CE2' ' HB3' ' A' ' 28' ' ' ARG . 21.5 m-85 -132.55 140.09 48.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.8 m -40.3 -53.28 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -162.87 119.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.515 ' CD2' ' HD2' ' A' ' 26' ' ' ARG . 24.9 m0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 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 -0.302 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m 55.54 42.26 29.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -77.95 172.74 13.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.24 82.9 1.7 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.4 p -129.42 91.6 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 p -122.2 105.21 10.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.86 -178.61 42.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.456 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 9' ' ' PHE . 8.0 p -65.76 -42.88 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 111.165 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.461 ' N ' HG13 ' A' ' 8' ' ' VAL . 27.1 m-85 -64.39 157.48 26.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -120.11 136.06 24.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.727 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 118.37 5.64 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.378 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.507 HG21 ' N ' ' A' ' 23' ' ' MET . 60.4 t -81.25 91.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -128.03 134.62 49.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.97 177.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.1 t -100.14 -31.83 11.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -97.3 -66.53 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' HIS . 15.9 p -80.2 8.17 7.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' CYS . 24.4 m80 35.71 46.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t -47.54 175.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 21' ' ' SER . 8.5 pt-20 -131.42 -36.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 20' ' ' GLU . 17.5 p -34.94 150.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 23' ' ' MET . 14.0 ptm -56.33 -176.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.507 ' N ' HG21 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -44.97 170.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.451 ' O ' ' CD2' ' A' ' 25' ' ' PHE . . . 102.69 148.01 19.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.451 ' CD2' ' O ' ' A' ' 24' ' ' GLY . 3.5 m-85 72.48 45.7 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -104.94 107.47 18.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -124.76 107.23 10.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -99.46 127.95 45.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 23.8 t -44.06 160.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 8.0 mt-30 -71.53 -73.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 30.7 tt0 -108.28 104.61 14.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -175.28 152.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -60.57 -74.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -135.0 87.2 2.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.428 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 3.9 t80 -133.55 102.73 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.633 ' NE2' ' CD1' ' A' ' 63' ' ' TRP . 45.1 mt-30 -123.55 138.24 54.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.486 HD12 ' CE ' ' A' ' 57' ' ' MET . 22.6 mt -141.42 157.97 44.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 39' ' ' GLN . 20.8 p -105.4 165.8 10.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' CYS . 10.0 tt0 -35.51 -52.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -57.38 -65.76 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 66.2 m -42.44 -47.79 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -61.84 -49.72 75.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -53.79 -45.49 70.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -69.58 -37.27 76.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.07 105.49 1.52 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.435 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -119.86 149.18 42.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.68 -178.26 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.79 176.59 47.63 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.02 -37.17 0.59 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.7 p -81.68 -66.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.826 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 66.7 t60 -79.27 131.36 36.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.7 t -97.23 139.15 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -55.47 -20.21 11.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -85.28 24.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 20.4 m170 -107.48 119.7 40.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -80.12 141.7 35.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.486 ' CE ' HD12 ' A' ' 37' ' ' LEU . 60.0 mmm -99.68 127.71 45.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -98.24 127.97 44.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -72.29 141.36 48.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 58' ' ' LYS . 82.2 m-85 -139.61 158.53 43.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.962 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.3 m -66.8 -51.69 52.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.9 m -138.31 155.85 48.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.633 ' CD1' ' NE2' ' A' ' 36' ' ' GLN . 9.5 m0 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -167.54 132.03 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -153.92 175.43 13.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.86 122.16 1.05 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.445 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -83.8 86.61 7.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -118.58 -57.4 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.45 54.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.65 137.77 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.4 ' C ' ' CG ' ' A' ' 10' ' ' HIS . 44.8 m-85 -47.41 -49.82 24.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.4 ' CG ' ' C ' ' A' ' 9' ' ' PHE . 25.9 m-70 -155.89 143.19 13.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 108.52 2.1 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.718 2.279 . . . . 0.0 112.31 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.575 HG11 ' H ' ' A' ' 23' ' ' MET . 66.5 t -59.39 97.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -123.69 171.49 9.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -127.93 -175.07 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.2 p -95.11 -39.5 10.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.4 ' CD1' ' HE1' ' A' ' 46' ' ' HIS . 4.3 t80 -104.55 -73.66 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' HIS . 5.8 p -56.48 -19.35 14.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' CYS . 19.9 p80 33.69 45.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 m -62.07 177.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 21' ' ' SER . 0.5 OUTLIER -130.31 -43.01 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.452 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 1.7 m -39.09 118.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.4 ttt -41.67 115.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.575 ' H ' HG11 ' A' ' 12' ' ' VAL . 5.6 mtp -142.7 157.01 45.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.514 ' O ' ' CG ' ' A' ' 25' ' ' PHE . . . -121.66 87.03 0.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.417 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CE1' ' OE1' ' A' ' 39' ' ' GLN . 23.8 m-85 -160.79 119.3 2.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.468 ' HB3' ' NE1' ' A' ' 63' ' ' TRP . 23.3 mmt180 -132.66 108.18 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -119.88 110.55 16.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.52 126.73 45.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 8.5 t -49.98 162.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 27.9 mt-30 -71.96 -74.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.454 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.2 tp-100 -108.64 104.86 14.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.59 155.84 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -66.9 -71.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -133.9 86.08 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.434 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.2 t80 -133.42 102.09 5.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.579 ' HB3' ' CZ2' ' A' ' 63' ' ' TRP . 14.8 mp0 -126.73 120.27 28.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.1 mt -118.41 156.73 28.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 39' ' ' GLN . 20.7 p -100.71 165.29 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.598 ' OE1' ' CE1' ' A' ' 25' ' ' PHE . 20.9 tt0 -35.17 -59.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 41' ' ' CYS . 25.6 t0 -53.37 -66.16 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 40' ' ' ASP . 8.6 m -37.1 -50.07 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.495 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 11.2 t80 -63.55 -51.85 63.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -45.53 -44.36 12.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -80.26 -39.12 29.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.27 116.25 3.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.4 ' HE1' ' CD1' ' A' ' 16' ' ' TYR . 9.7 m170 -124.48 150.4 45.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.37 -176.57 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -179.65 -179.73 48.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.57 -28.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' GLY . 23.9 m -93.86 -75.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.605 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 83.2 t60 -64.98 153.67 39.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.8 t -119.09 137.58 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -53.1 -26.68 17.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' HG2' ' N ' ' A' ' 55' ' ' HIS . 1.9 pt20 -72.97 -34.78 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.605 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 22.2 m170 -48.6 118.36 2.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -75.59 158.02 33.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.495 ' HG3' ' CD1' ' A' ' 42' ' ' PHE . 45.1 mmm -120.88 119.49 32.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.83 144.86 25.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.37 131.04 38.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -121.92 176.51 5.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.4 m -62.55 -64.43 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 t -174.14 160.23 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.579 ' CZ2' ' HB3' ' A' ' 36' ' ' GLN . 5.2 p-90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.5 p -133.73 173.93 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 t -107.61 -51.39 2.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.53 154.4 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -173.96 138.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -73.2 88.94 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.34 -44.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.4 m -45.09 122.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 111.168 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 10' ' ' HIS . 48.4 p90 -87.39 -46.78 9.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.486 ' HB2' ' CE2' ' A' ' 9' ' ' PHE . 15.8 m-70 -127.7 99.94 25.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 10' ' ' HIS . 54.1 Cg_endo -69.76 128.53 16.15 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.34 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.747 HG13 ' NE1' ' A' ' 63' ' ' TRP . 57.3 t -95.95 83.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.491 ' O ' ' CZ3' ' A' ' 63' ' ' TRP . 21.4 mp0 -127.74 139.82 52.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.88 178.57 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -107.21 -34.89 6.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.431 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 5.0 t80 -90.28 -61.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' HIS . 16.2 p -91.14 7.57 39.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' CYS . 16.4 p80 35.06 45.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 p -50.55 174.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -129.49 -35.5 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -45.13 119.56 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.409 ' HA ' HG11 ' A' ' 12' ' ' VAL . 9.9 ptp -109.64 84.97 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.597 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 7.2 ttm -125.92 -46.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.497 ' HA2' ' CZ ' ' A' ' 26' ' ' ARG . . . 154.26 59.54 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CE2' ' HB3' ' A' ' 23' ' ' MET . 3.2 m-85 -126.18 76.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.497 ' CZ ' ' HA2' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.35 110.46 10.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -125.85 119.93 29.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -97.35 134.59 40.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.51 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 5.9 t -54.91 162.85 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.51 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 51.3 mt-30 -70.06 -74.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 11.2 tp60 -109.07 104.8 14.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -173.98 162.29 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -70.94 -72.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.509 ' ND2' HE22 ' A' ' 36' ' ' GLN . 20.5 t-20 -134.98 89.52 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.406 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 6.3 t80 -133.92 102.4 5.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.509 HE22 ' ND2' ' A' ' 34' ' ' ASN . 1.5 mp0 -125.53 111.96 15.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.464 ' HG ' ' HE1' ' A' ' 57' ' ' MET . 80.9 mt -115.52 154.41 29.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.3 p -98.15 168.59 10.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -40.71 -53.11 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.33 -59.02 5.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.8 m -45.06 -52.58 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.574 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 8.3 t80 -61.38 -56.4 20.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.5 m0 -42.8 -41.24 3.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -77.82 -38.17 46.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.2 99.44 1.75 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.431 ' CE1' ' CE1' ' A' ' 16' ' ' TYR . 21.1 m170 -114.83 148.83 37.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.18 -178.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.97 179.68 48.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.89 -31.94 0.32 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.0 m -88.48 -70.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 75.2 t60 -76.52 139.53 40.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.569 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 8.0 t -102.49 134.51 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -53.53 -24.89 14.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -84.76 25.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 30.4 m170 -107.11 119.48 39.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -73.44 160.09 32.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.574 ' HG3' ' CD1' ' A' ' 42' ' ' PHE . 28.3 mmm -128.62 124.29 35.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -102.13 146.26 28.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 2.9 pt-20 -68.85 131.41 45.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 30.4 m-85 -151.2 108.94 3.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.8 m -71.26 77.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -134.16 28.53 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.747 ' NE1' HG13 ' A' ' 12' ' ' VAL . 5.9 m95 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 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 1.451 -0.303 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -141.44 119.17 11.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -155.68 121.99 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.02 103.32 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -146.04 158.29 43.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 m -68.84 176.82 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.95 -166.54 30.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' ' 9' ' ' PHE . 26.9 m -121.7 -42.34 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.441 ' N ' HG23 ' A' ' 8' ' ' VAL . 48.8 m-85 -71.81 147.11 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -114.58 147.81 38.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.602 0.715 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 90.26 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.727 2.285 . . . . 0.0 112.304 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.879 HG13 ' CE3' ' A' ' 63' ' ' TRP . 21.5 t -90.92 79.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -138.95 151.78 47.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.495 ' HB3' ' N ' ' A' ' 18' ' ' HIS . 3.2 t -85.99 177.26 7.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -92.84 -50.78 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -87.72 -72.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' HIS . 3.7 p -65.79 -14.2 60.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.495 ' N ' ' HB3' ' A' ' 14' ' ' CYS . 22.7 p80 34.1 54.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -70.17 -178.59 1.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 21' ' ' SER . 8.3 pt-20 -131.89 -30.26 1.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' GLU . 44.4 p -33.67 151.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.741 ' HE2' HG11 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -102.41 48.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 24' ' ' GLY . 2.5 ptt? -129.42 -41.39 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.492 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . -58.2 -172.88 0.36 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 14.9 m-85 -155.24 166.24 34.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.48 ' HB2' ' NE1' ' A' ' 63' ' ' TRP . 7.4 tpt180 -79.67 107.03 12.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 25' ' ' PHE . 51.7 m-85 -119.38 100.37 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -94.06 123.25 37.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 7.4 t -42.07 163.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 27.9 mt-30 -69.8 -74.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.438 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 3.3 tp-100 -108.53 104.8 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -173.28 162.06 4.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -73.24 -70.68 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -134.22 85.52 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.489 ' CE2' ' CG ' ' A' ' 51' ' ' HIS . 4.4 t80 -132.82 102.66 5.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -123.24 140.7 52.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.2 mt -147.47 168.08 22.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.422 ' SG ' ' OD2' ' A' ' 40' ' ' ASP . 17.5 p -107.37 174.31 5.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -43.76 -59.86 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -52.2 -64.36 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' ASP . 5.6 m -35.25 -49.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.555 ' CE1' ' HG2' ' A' ' 57' ' ' MET . 4.3 t80 -69.22 -50.83 43.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -43.45 -42.55 4.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -81.27 -38.86 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.47 111.97 3.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -122.1 156.47 33.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.18 -176.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' GLY . . . -179.74 179.61 48.82 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.88 -36.42 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.6 t -88.38 -75.7 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 67.5 t60 -64.45 145.82 55.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -110.23 151.28 27.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -65.03 -20.04 66.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -90.91 23.82 3.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 19.0 m170 -105.68 121.28 43.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -80.35 155.87 27.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.555 ' HG2' ' CE1' ' A' ' 42' ' ' PHE . 38.8 mmm -115.72 134.81 54.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -109.5 139.08 44.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' CD ' ' H ' ' A' ' 59' ' ' GLU . 2.5 pm0 -74.01 138.0 43.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -121.34 -75.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.7 m -74.8 -46.06 39.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.2 m 63.5 51.15 2.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.879 ' CE3' HG13 ' A' ' 12' ' ' VAL . 1.8 p-90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -173.07 159.51 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -173.46 156.99 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.56 161.82 26.58 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.528 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -147.72 123.9 10.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -158.05 144.13 17.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.41 154.08 6.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 9' ' ' PHE . 27.4 m -70.16 -44.16 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.477 ' N ' HG23 ' A' ' 8' ' ' VAL . 38.8 m-85 -34.43 134.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 9.4 p-80 -101.76 96.79 6.96 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.719 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 9' ' ' PHE . 53.7 Cg_endo -69.76 167.43 24.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.742 2.295 . . . . 0.0 112.304 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.51 87.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -128.08 146.69 50.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -86.21 -178.45 6.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.5 t -102.6 -41.67 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 5.1 t80 -91.05 -69.61 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.1 p -67.62 -17.01 64.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 42.51 49.48 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 t -57.6 174.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 21' ' ' SER . 1.1 pm0 -125.9 -36.12 2.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 42.9 t -47.09 164.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.5 tpt -86.52 84.09 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.3 mmt -114.23 99.88 7.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.18 62.86 4.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -131.53 90.77 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -96.79 106.99 19.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -105.26 100.22 9.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.4 ttp85 -93.53 120.08 33.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 13.4 t -48.22 161.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.466 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 23.4 mt-30 -71.02 -73.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.8 tt0 -108.41 105.07 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 31' ' ' GLN . 1.5 m -174.78 172.75 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.409 ' C ' ' OD1' ' A' ' 34' ' ' ASN . 21.7 m170 -81.97 -72.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 33' ' ' HIS . 5.2 m-20 -135.09 88.2 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.548 ' CE2' ' CD2' ' A' ' 51' ' ' HIS . 4.1 t80 -132.42 102.37 5.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -128.09 117.4 21.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.0 mt -117.44 164.61 14.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 p -106.52 174.13 6.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -44.65 -55.27 5.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' CYS . 29.9 t70 -56.67 -68.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' ASP . 7.7 m -33.84 -55.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -57.73 -51.25 70.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -48.16 -41.89 28.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.471 ' CZ ' ' HA ' ' A' ' 44' ' ' ARG . 2.2 mmp_? -78.47 -39.16 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.73 106.29 2.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -121.36 147.49 45.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.19 -178.74 1.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.67 178.9 48.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.49 -33.71 0.59 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.472 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -82.12 -65.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.594 ' CE1' ' HB2' ' A' ' 55' ' ' HIS . 76.8 t60 -85.91 134.49 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.495 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 43.5 t -98.68 128.89 45.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -48.3 -24.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -84.4 25.57 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 18.2 m170 -105.58 119.28 38.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -73.29 142.86 47.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.5 mmm -104.32 157.81 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -118.36 122.38 42.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.23 126.55 30.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -118.04 -175.3 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.2 p -61.32 -68.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.6 t -175.21 157.29 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 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_