data_2mzf_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 2mzf _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.865 0.364 . . . . 43.11 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.3 m -109.14 86.22 3.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 71.25 111.124 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -169.23 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.7 2.267 . . . . 74.12 112.346 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.34 154.69 40.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.932 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.6 mt 62.57 29.44 16.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.959 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -133.66 140.36 47.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.82 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.58 140.07 57.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.876 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.7 p -132.19 26.79 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.924 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.3 t -60.59 -27.54 67.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 64.25 110.867 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -60.84 -34.73 75.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 72.14 110.821 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.98 121.25 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.86 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -60.97 -18.31 56.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.21 110.896 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -116.41 26.97 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 74.45 110.821 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -94.66 -20.16 19.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.827 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.2 m -51.28 143.63 10.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.838 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.8 m -51.39 169.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.898 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -130.8 158.05 41.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.87 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.94 -174.17 13.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.786 -0.721 . . . . 70.04 112.56 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -88.24 -36.4 16.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 74.32 110.871 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.6 mtm -90.15 -72.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.901 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -127.61 148.97 50.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 70.04 110.913 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 171.02 8.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 75.33 110.863 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -87.73 139.39 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 74.22 110.883 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -109.78 132.45 57.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 74.33 111.116 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 m -70.49 128.89 37.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.5 110.9 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.71 131.86 46.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.881 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 64.7 m -104.6 140.9 37.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.865 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -145.54 170.12 17.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 64.44 110.847 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.716 0.769 . . . . 70.02 110.898 -179.832 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.861 0.362 . . . . 72.24 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 82.8 t -106.32 127.96 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.44 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.0 m -112.25 113.35 25.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.849 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.4 p -123.93 167.8 13.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.9 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.1 m -80.61 124.52 29.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.889 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -124.7 150.46 46.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.45 110.95 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -100.02 154.62 37.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 65.1 110.897 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.65 2.233 . . . . 73.41 112.368 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.946 0.403 . . . . 43.11 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.17 86.44 4.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.601 0.715 . . . . 71.25 111.126 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -169.27 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.765 2.31 . . . . 74.12 112.33 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.08 152.32 45.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.924 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.0 mt 64.23 29.72 13.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.917 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -132.6 140.82 48.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 73.35 110.852 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.3 129.59 40.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.888 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -123.23 25.6 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.894 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.2 t -53.22 -28.33 26.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 64.25 110.913 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -59.6 -35.84 75.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 72.14 110.85 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.27 120.22 1.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.892 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -61.04 -18.21 56.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 74.21 110.923 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -116.09 27.1 9.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 74.45 110.854 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -97.18 -17.4 19.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 72.33 110.865 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 67.2 m -51.41 144.61 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 71.45 110.851 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.4 m -51.05 168.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.905 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 ptt85 -134.88 166.0 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 72.14 110.876 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.12 -166.56 11.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 70.04 112.463 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -78.19 -30.33 48.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 74.32 110.818 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 44.1 mtm -92.4 -72.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.868 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -144.24 159.14 43.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 70.04 110.85 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -95.41 157.89 15.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 75.33 110.885 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.79 161.25 15.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.872 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 m -111.3 129.4 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 74.33 111.126 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 3.1 m -75.5 107.04 7.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 74.5 110.847 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.22 142.95 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.88 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.2 m -116.31 139.5 50.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -145.58 -172.87 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 64.44 110.877 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.687 0.756 . . . . 70.02 110.921 -179.854 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.943 0.401 . . . . 72.24 110.846 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.5 t -82.26 115.5 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 72.44 111.126 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.81 112.74 24.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 73.22 110.865 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.8 p -129.25 165.98 20.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 73.25 110.879 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.8 m -80.54 124.57 29.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 71.34 110.903 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -126.97 162.36 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 72.45 110.877 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.22 159.27 54.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 65.1 110.9 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.266 . . . . 73.41 112.332 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.916 0.389 . . . . 43.11 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.3 m -109.12 86.77 4.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.712 . . . . 71.25 111.184 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -167.04 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.712 2.274 . . . . 74.12 112.371 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.28 152.98 44.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.937 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.9 mt 64.25 29.63 13.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.464 . . . . 72.32 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -132.47 138.91 47.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 73.35 110.816 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.95 136.66 58.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.818 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -127.37 18.18 6.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.1 t -54.37 -34.42 61.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 64.25 110.864 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -59.7 -34.02 72.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 72.14 110.851 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -164.2 118.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.865 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -66.29 -13.6 60.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.912 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -111.64 4.91 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.874 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.84 -21.21 51.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.875 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 35.1 m -51.95 139.76 21.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 71.45 110.821 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.3 m -51.16 169.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.921 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.03 160.12 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 72.14 110.861 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.22 -170.23 13.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.808 -0.711 . . . . 70.04 112.481 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -84.67 -37.54 20.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 74.32 110.868 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.6 mtt -89.99 -68.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.21 110.929 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -134.63 158.12 44.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 70.04 110.854 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.47 151.62 20.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 75.33 110.967 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -61.24 156.7 17.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 74.22 110.903 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 m -113.73 130.22 68.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.33 111.156 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 1.7 m -72.0 112.74 8.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 74.5 110.896 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.8 144.75 37.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.102 -0.499 . . . . 74.24 110.893 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.7 m -115.9 140.17 49.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.872 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -145.69 -177.25 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 64.44 110.867 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.726 0.774 . . . . 70.02 110.904 -179.858 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.896 0.379 . . . . 72.24 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 t -83.06 118.23 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.44 111.119 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.1 m -112.56 112.07 23.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 73.22 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 p -128.2 171.0 12.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.816 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.8 m -80.95 125.12 29.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 71.34 110.877 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -129.33 162.36 28.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.897 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.47 159.55 55.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.559 0.695 . . . . 65.1 110.861 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.622 2.215 . . . . 73.41 112.355 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.937 0.399 . . . . 43.11 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.1 m -109.04 87.23 4.51 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.611 0.72 . . . . 71.25 111.137 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -165.83 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.72 2.28 . . . . 74.12 112.306 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.08 154.38 41.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 74.42 110.869 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt 66.25 31.34 8.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 72.32 110.985 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -135.81 135.04 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.803 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -51.49 150.8 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 72.33 110.914 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -139.38 11.69 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 74.21 110.89 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.3 t -59.21 -27.84 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 64.25 110.85 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -66.18 -36.48 83.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 72.14 110.869 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -164.85 117.28 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -66.19 -13.11 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.878 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -111.25 19.59 18.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 74.45 110.858 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.17 -25.39 16.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 72.33 110.868 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.1 m -52.77 146.64 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 71.45 110.899 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.8 m -58.57 -172.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.944 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -129.04 -35.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 72.14 110.799 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.72 163.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 70.04 112.525 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -80.83 -11.88 59.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.833 0.349 . . . . 74.32 110.904 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.0 ttp -90.3 -76.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.845 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -150.45 147.7 27.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 70.04 110.909 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.82 154.41 18.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 75.33 110.889 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -90.7 145.01 25.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 74.22 110.937 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.83 138.56 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 74.33 111.154 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 m -70.43 134.23 47.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.5 110.919 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.43 119.97 23.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.851 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.4 m -100.63 134.31 43.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.945 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -145.23 170.2 16.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 64.44 110.866 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.685 0.755 . . . . 70.02 111.002 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.93 0.395 . . . . 72.24 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.9 t -94.71 120.76 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 72.44 111.155 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.2 m -108.37 119.2 38.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.897 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.9 p -128.15 169.38 14.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.876 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.8 m -80.78 121.44 25.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.893 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -128.91 156.38 43.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 72.45 110.942 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -100.06 160.53 26.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.722 . . . . 65.1 110.89 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 73.41 112.361 179.925 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.925 0.393 . . . . 43.11 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.1 m -109.24 86.21 3.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.55 0.69 . . . . 71.25 111.085 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -167.37 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.725 2.283 . . . . 74.12 112.282 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.23 155.28 39.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 74.42 110.931 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.4 mt 64.98 30.37 11.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 72.32 110.867 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -135.35 138.61 43.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.862 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -51.38 139.02 20.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.893 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -126.77 -0.52 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.878 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -29.02 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 64.25 110.906 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -60.4 -36.64 78.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 72.14 110.842 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -164.7 118.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.906 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -63.5 -16.0 59.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.876 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -115.61 24.18 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.85 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.28 -26.05 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 72.33 110.93 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.5 m -52.64 142.94 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 71.45 110.947 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.3 m -51.71 169.75 0.06 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 74.11 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -132.64 171.1 14.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.893 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.26 -147.31 5.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 70.04 112.549 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -95.68 -35.78 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 74.32 110.819 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -93.23 -66.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.923 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -144.23 160.34 41.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 70.04 110.9 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -94.75 166.81 11.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 75.33 110.979 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -64.1 154.89 33.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 74.22 110.937 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.51 145.62 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.33 111.075 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 m -77.08 128.12 33.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 74.5 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.03 117.98 23.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 74.24 110.856 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.1 m -99.36 124.57 44.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.885 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -145.88 -178.55 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.93 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.697 0.76 . . . . 70.02 110.94 -179.847 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.9 0.381 . . . . 72.24 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.0 t -74.25 113.87 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 72.44 111.182 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.0 m -99.72 118.41 36.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.829 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.7 p -129.63 169.66 14.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.25 110.878 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 66.9 m -81.06 119.28 23.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.869 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -123.22 159.7 28.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 72.45 110.86 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -59.83 153.76 51.69 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.582 0.706 . . . . 65.1 110.95 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 73.41 112.327 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.918 0.39 . . . . 43.11 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.2 m -108.98 87.16 4.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.538 0.685 . . . . 71.25 111.167 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -167.04 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.634 2.223 . . . . 74.12 112.334 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.69 152.5 45.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.938 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.1 mt 64.11 31.31 13.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.94 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -134.22 138.21 44.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.868 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.22 139.0 53.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 72.33 110.867 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -128.36 18.65 6.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.867 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -60.36 -30.99 69.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 64.25 110.866 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -60.06 -33.05 71.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 72.14 110.844 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -164.6 117.87 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.888 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -17.63 55.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.877 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -115.75 26.98 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 74.45 110.827 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -96.29 -21.93 17.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.91 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.1 m -52.26 140.09 22.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 71.45 110.903 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.2 m -52.66 172.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.862 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -131.57 161.53 32.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 72.14 110.833 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.98 -173.89 13.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 70.04 112.484 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -98.95 -23.9 15.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.843 0.354 . . . . 74.32 110.881 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.7 ttt -89.99 -61.53 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 74.21 110.887 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -142.55 151.14 41.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 70.04 110.836 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -98.13 140.78 31.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 75.33 110.932 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -66.86 139.31 57.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.927 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.6 m -112.44 134.64 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.33 111.16 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.4 m -71.69 113.92 9.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 74.5 110.913 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -115.42 130.94 57.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.856 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 78.2 m -105.88 123.14 47.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.85 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -145.66 166.06 26.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 64.44 110.888 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.656 0.741 . . . . 70.02 110.942 -179.86 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.856 0.36 . . . . 72.24 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 t -90.77 112.8 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.135 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.7 m -99.88 108.18 20.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.847 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 p -127.0 170.29 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.786 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.8 m -80.96 116.88 21.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 71.34 110.859 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -122.89 158.77 29.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.923 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.25 159.26 59.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.572 0.701 . . . . 65.1 110.879 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.166 0 C-N-CA 122.707 2.271 . . . . 73.41 112.304 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.868 0.366 . . . . 43.11 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.8 m -109.13 87.47 4.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.698 . . . . 71.25 111.127 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -169.12 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.702 2.268 . . . . 74.12 112.356 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.39 159.42 29.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.912 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.1 mt 56.44 28.65 13.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.32 110.882 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -130.12 141.84 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 73.35 110.865 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -61.35 138.23 58.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.831 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.4 p -134.7 26.85 3.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 74.21 110.967 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -63.8 -24.93 67.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 64.25 110.806 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -66.51 -30.74 71.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 72.14 110.913 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.17 120.19 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.857 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -65.35 -14.54 61.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.838 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -112.06 4.33 17.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.806 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -74.2 -21.46 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 72.33 110.913 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 35.0 m -52.24 139.57 23.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 71.45 110.868 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.6 m -51.91 166.04 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.506 . . . . 74.11 110.946 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 126.37 38.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.877 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.08 -148.66 6.09 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.744 -0.741 . . . . 70.04 112.491 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -100.03 -45.33 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 74.32 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 ttm -89.33 -61.56 1.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.862 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -131.97 154.0 49.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 70.04 110.883 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.39 159.37 15.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.942 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -67.49 156.19 37.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.304 -0.407 . . . . 74.22 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -114.59 133.04 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 74.33 111.179 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 7.9 m -73.96 119.7 18.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.5 110.809 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.08 141.76 51.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 74.24 110.801 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.9 m -112.87 130.97 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.853 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -146.21 177.47 8.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.862 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.73 0.776 . . . . 70.02 110.943 -179.819 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.941 0.401 . . . . 72.24 110.813 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.5 t -74.49 118.59 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 72.44 111.12 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.3 m -99.55 110.61 23.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.857 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 p -128.92 169.05 15.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 73.25 110.942 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 77.3 m -80.64 122.74 27.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.899 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -124.17 149.37 46.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 72.45 110.933 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -100.13 155.86 35.94 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.599 0.714 . . . . 65.1 110.928 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 73.41 112.342 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.965 0.412 . . . . 43.11 110.821 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.2 m -109.08 86.36 3.91 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.535 0.683 . . . . 71.25 111.17 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -166.26 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.662 2.241 . . . . 74.12 112.356 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.07 153.91 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.935 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mt 65.5 32.48 9.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.92 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -135.21 136.12 41.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.35 110.913 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.95 146.72 8.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.875 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 p -140.35 18.68 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.837 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t -62.15 -42.97 99.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 64.25 110.862 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -59.46 -31.68 69.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 72.14 110.865 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.16 97.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.82 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptt85 -62.75 -19.23 63.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.861 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -99.81 18.6 17.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.889 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -100.42 -16.96 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 72.33 110.914 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.7 m -51.11 143.49 10.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 71.45 110.922 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.2 m -51.86 170.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.837 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -131.81 162.71 29.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 72.14 110.878 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.27 -170.68 12.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.755 . . . . 70.04 112.52 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.72 -30.32 16.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.755 0.312 . . . . 74.32 110.862 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.2 mtp -90.1 -67.83 0.82 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 74.21 110.835 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -139.81 149.38 43.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 70.04 110.962 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.45 148.85 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.913 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -67.55 134.49 51.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.963 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.6 m -107.43 144.05 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 74.33 111.077 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 t -73.34 112.91 9.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 74.5 110.856 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.06 136.78 52.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.859 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.0 m -108.85 142.23 39.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.877 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -145.41 169.83 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 64.44 110.838 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 121.692 0.758 . . . . 70.02 110.914 -179.869 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.941 0.4 . . . . 72.24 110.848 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.1 t -107.28 126.64 63.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 72.44 111.077 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.3 m -110.61 112.44 24.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.22 110.874 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 p -126.71 171.64 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.82 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.3 m -80.22 124.37 28.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 71.34 110.932 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -131.06 165.12 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.895 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.54 159.07 62.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 65.1 110.856 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 73.41 112.367 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 p . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.915 0.388 . . . . 43.11 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.3 m -121.08 87.99 44.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.658 0.742 . . . . 71.25 111.189 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.65 -167.78 0.24 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.732 2.288 . . . . 74.12 112.362 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.16 152.18 46.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.941 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.4 mt 64.31 30.76 13.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.418 . . . . 72.32 110.943 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -134.77 139.5 45.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.939 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -61.81 139.35 58.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.452 . . . . 72.33 110.816 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.5 p -134.88 28.04 3.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.854 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.5 p -61.81 -25.74 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 64.25 110.863 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -39.57 83.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 72.14 110.843 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.91 120.31 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.23 110.829 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -54.95 -27.83 46.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.836 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -101.45 28.89 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.45 110.845 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.5 t -99.37 -22.09 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 72.33 110.831 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 45.2 m -56.37 143.71 33.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.879 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -47.0 161.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 74.11 110.856 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -129.98 166.82 19.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 72.14 110.904 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 177.3 174.11 43.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 70.04 112.497 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -58.86 -69.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.833 0.349 . . . . 74.32 110.918 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.0 mtm -123.15 36.2 4.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.831 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -134.99 9.04 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 70.04 110.87 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -51.37 131.57 28.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 75.33 110.906 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -95.89 144.12 26.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.949 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -109.57 127.59 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 74.33 111.189 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 2.0 m -70.46 112.14 6.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 74.5 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -116.36 142.58 46.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 74.24 110.912 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.9 m -114.91 140.37 49.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.836 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -145.84 -174.77 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 64.44 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.645 0.736 . . . . 70.02 110.936 -179.863 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.929 0.395 . . . . 72.24 110.833 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.4 t -82.7 114.57 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 72.44 111.06 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.7 m -108.81 110.42 21.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.1 p -129.38 165.66 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.917 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.9 m -80.56 121.51 25.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.34 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -122.16 169.58 10.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.885 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.65 159.23 49.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.599 0.714 . . . . 65.1 110.913 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 73.41 112.345 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.849 0.357 . . . . 43.11 110.902 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.9 m -109.08 87.3 4.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.614 0.721 . . . . 71.25 111.125 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -167.58 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.649 2.232 . . . . 74.12 112.366 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.19 153.93 42.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 74.42 110.944 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.7 mt 64.19 31.88 12.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 72.32 110.889 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -135.53 138.98 43.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.882 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -56.0 143.2 33.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 72.33 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -137.77 25.41 2.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.904 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 t -70.67 -17.54 62.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 64.25 110.822 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -40.2 82.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 72.14 110.796 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -164.35 120.24 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 73.23 110.89 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -54.73 -28.11 45.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.803 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.86 29.89 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.881 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.0 p -100.2 -27.31 13.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.914 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.5 m -56.21 141.34 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.865 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.7 m -53.48 173.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.83 114.12 15.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 72.14 110.903 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.5 -150.42 2.68 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.69 -0.766 . . . . 70.04 112.509 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -99.96 -63.67 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.763 0.316 . . . . 74.32 110.809 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 ttt -104.95 -27.48 11.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -117.43 122.28 43.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 70.04 110.868 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -100.25 143.9 29.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.859 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -77.36 128.88 35.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.953 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 m -108.8 161.79 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 74.33 111.148 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.7 m -85.12 120.47 26.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 74.5 110.856 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.34 129.03 48.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 74.24 110.869 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.5 m -100.0 137.13 38.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.864 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -145.19 175.47 10.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 64.44 110.869 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.682 0.753 . . . . 70.02 110.885 -179.843 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.941 0.401 . . . . 72.24 110.868 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.6 t -102.39 124.55 56.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 72.44 111.121 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.2 m -102.03 111.1 23.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.888 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 p -124.89 174.01 8.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 73.25 110.869 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.0 m -81.09 125.72 30.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 71.34 110.889 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -124.67 156.61 37.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -106.92 85.59 1.99 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.616 0.722 . . . . 65.1 110.948 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 73.41 112.363 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.894 0.378 . . . . 43.11 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.9 m -108.96 86.35 3.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.69 . . . . 71.25 111.145 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -167.41 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.688 2.258 . . . . 74.12 112.374 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.25 157.11 36.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.421 . . . . 74.42 110.932 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.6 mt 63.55 28.44 15.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.129 -0.487 . . . . 72.32 110.935 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -134.05 138.51 45.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 73.35 110.796 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.33 145.56 21.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.883 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 p -140.03 22.14 2.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.894 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 t -54.1 -27.6 34.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 64.25 110.855 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -59.75 -46.32 89.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.872 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.11 118.86 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.849 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -56.12 -24.93 43.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.872 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -103.65 26.89 7.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.836 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.2 t -99.84 -23.35 14.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.996 0.427 . . . . 72.33 110.887 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.5 m -52.87 151.95 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 71.45 110.862 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.9 m -52.86 173.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.873 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -130.56 169.22 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 72.14 110.839 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.13 -175.22 19.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.675 -0.774 . . . . 70.04 112.44 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -88.83 -25.83 21.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 74.32 110.845 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.9 ttp -91.11 -66.46 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 74.21 110.866 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -143.7 154.73 43.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 70.04 110.874 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -99.63 139.25 35.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 75.33 110.861 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -58.17 142.46 47.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.96 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -109.3 135.11 49.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 74.33 111.176 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 t -73.88 104.63 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.5 110.945 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.38 142.4 32.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.859 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 71.2 m -116.01 138.67 51.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.889 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -145.45 -175.9 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 64.44 110.829 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 121.671 0.748 . . . . 70.02 110.904 -179.881 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.92 0.391 . . . . 72.24 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 t -82.73 118.8 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 72.44 111.157 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.3 m -111.51 114.77 28.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 73.22 110.939 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.6 p -130.16 170.1 14.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 73.25 110.848 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 80.7 m -80.12 124.71 29.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 71.34 110.956 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -130.66 150.18 51.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 72.45 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -100.49 155.63 36.15 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.537 0.684 . . . . 65.1 110.905 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.731 2.287 . . . . 73.41 112.336 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.913 0.387 . . . . 43.11 110.848 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -108.94 86.88 4.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.594 0.711 . . . . 71.25 111.133 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -165.82 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.708 2.272 . . . . 74.12 112.298 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.71 153.05 44.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.849 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mt 66.13 33.28 7.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 72.32 110.884 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -135.62 138.35 42.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.86 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -51.05 141.61 13.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.835 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 p -130.44 12.17 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.908 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t -62.56 -22.34 66.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.452 . . . . 64.25 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -69.45 -42.04 75.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.14 110.849 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -165.22 122.01 1.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.903 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -22.01 66.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.923 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -99.31 5.6 46.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.896 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.8 t -81.37 -27.93 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.851 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.1 m -53.56 141.22 26.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 71.45 110.858 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.0 m -52.25 172.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.926 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.25 155.4 46.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 72.14 110.862 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.92 165.9 26.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 70.04 112.456 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -82.29 -17.13 46.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.815 0.34 . . . . 74.32 110.907 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.6 mtt -89.9 -65.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.856 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -141.04 151.59 44.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.879 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.58 140.21 29.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.893 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -72.81 128.18 34.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 74.22 110.901 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.9 m -108.02 164.95 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 74.33 111.164 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.4 125.65 35.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.5 110.905 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.33 125.24 34.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.893 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.1 m -99.96 138.81 36.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.853 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -145.2 176.5 9.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 64.44 110.877 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.716 0.769 . . . . 70.02 110.875 -179.849 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.841 0.353 . . . . 72.24 110.859 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -102.67 124.09 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 72.44 111.05 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.1 m -102.95 119.22 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 73.22 110.894 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.1 p -129.46 176.21 8.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 73.25 110.812 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.3 m -80.87 117.8 21.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 71.34 110.851 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -127.5 159.12 35.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 72.45 110.914 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -83.86 159.62 60.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.718 . . . . 65.1 110.908 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.273 . . . . 73.41 112.324 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.902 0.382 . . . . 43.11 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -109.15 86.68 4.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.555 0.693 . . . . 71.25 111.097 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -167.43 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.728 2.286 . . . . 74.12 112.377 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.34 154.33 41.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 74.42 110.921 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.8 mt 65.13 30.47 11.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.85 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -135.48 137.47 42.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 73.35 110.84 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.61 143.66 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.866 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.8 p -134.58 20.23 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.906 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -22.22 66.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 64.25 110.857 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -62.98 -41.71 99.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 72.14 110.858 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.13 121.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 73.23 110.838 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -53.42 -31.29 44.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.86 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -100.35 31.78 3.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.859 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.0 t -99.96 -25.29 14.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.886 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.1 m -58.17 143.17 45.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 71.45 110.894 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.0 m -51.73 170.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.854 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -132.27 158.56 41.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 72.14 110.895 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.33 -158.73 9.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.712 -0.756 . . . . 70.04 112.468 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -99.77 -29.48 12.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.708 0.29 . . . . 74.32 110.801 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.4 ttp -89.34 -63.39 1.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 74.21 110.883 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -146.89 156.13 42.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 70.04 110.95 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -95.91 147.98 23.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 75.33 110.916 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -59.41 146.58 39.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.949 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 m -106.38 143.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 74.33 111.146 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -81.58 108.14 14.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.5 110.894 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.66 123.09 45.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.885 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.0 m -101.49 138.7 38.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 73.42 110.835 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -145.7 -171.48 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.933 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.676 0.75 . . . . 70.02 110.905 -179.853 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.923 0.392 . . . . 72.24 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 t -96.05 117.14 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 72.44 111.117 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.5 m -113.11 121.24 43.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.883 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.8 p -129.99 170.45 13.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.901 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.6 m -80.58 119.54 23.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.899 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -127.97 161.86 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 72.45 110.882 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.62 159.43 61.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.517 0.675 . . . . 65.1 110.978 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.168 0 C-N-CA 122.713 2.275 . . . . 73.41 112.346 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.887 0.375 . . . . 43.11 110.906 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 m -108.93 87.14 4.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 71.25 111.202 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -167.39 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.695 2.263 . . . . 74.12 112.286 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.15 153.12 44.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.869 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.6 mt 66.12 29.28 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.986 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -135.21 136.98 42.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.901 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.02 143.7 47.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 72.33 110.853 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -134.11 22.51 3.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.836 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.3 t -56.28 -24.65 44.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 64.25 110.749 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -59.16 -42.73 91.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 72.14 110.829 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -165.38 123.94 1.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.86 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -33.91 35.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.876 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -99.59 35.65 1.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 74.45 110.885 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 t -100.44 -29.48 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.829 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 61.2 m -51.59 149.87 4.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 71.45 110.893 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.9 m -57.46 -176.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.859 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -129.31 -39.52 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 72.14 110.877 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.98 164.81 0.51 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.752 -0.737 . . . . 70.04 112.438 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -86.44 -17.75 33.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 74.32 110.881 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.1 mmt -89.95 -72.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.87 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -139.8 155.85 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 70.04 110.872 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -96.34 134.05 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 75.33 110.885 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -73.69 145.04 45.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.927 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.6 m -106.48 135.22 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 74.33 111.122 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 3.1 m -72.51 108.96 5.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 74.5 110.931 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.15 139.01 43.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.86 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.6 m -114.41 139.69 49.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.913 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -145.5 -170.92 3.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 64.44 110.857 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.687 0.756 . . . . 70.02 110.868 -179.844 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.929 0.395 . . . . 72.24 110.834 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 t -86.32 116.71 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 72.44 111.11 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 76.6 m -111.21 113.81 26.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 73.22 110.975 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.8 p -129.82 167.78 17.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 73.25 110.87 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.9 m -80.78 123.99 28.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 71.34 110.854 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -129.14 163.22 25.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.941 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.5 159.62 55.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 65.1 110.862 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 73.41 112.332 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.958 0.409 . . . . 43.11 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.3 m -108.86 86.65 3.92 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.586 0.708 . . . . 71.25 111.176 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -166.59 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.659 2.24 . . . . 74.12 112.329 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.91 156.69 36.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 74.42 110.919 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.1 mt 63.61 30.72 14.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.945 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -135.05 139.1 44.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.904 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -53.74 147.21 12.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 72.33 110.849 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.3 p -140.23 23.51 2.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.902 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.2 t -57.79 -34.03 69.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 64.25 110.863 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -59.29 -42.92 92.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 72.14 110.841 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -165.2 122.33 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.836 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -22.11 66.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.892 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -99.55 5.59 46.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.816 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.0 t -79.49 -24.15 42.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 72.33 110.867 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.4 m -51.48 153.58 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 71.45 110.826 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.7 m -57.87 -174.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 74.11 110.857 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -129.58 -46.57 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 72.14 110.874 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.6 163.09 0.33 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 70.04 112.484 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.41 -12.17 49.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 74.32 110.892 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.9 mtp -89.66 -72.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.891 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -144.34 154.56 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 70.04 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -92.18 136.55 33.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 75.33 110.862 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -79.91 140.5 36.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 74.22 110.959 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.11 138.36 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 74.33 111.144 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -70.65 124.0 23.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 74.5 110.906 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.1 135.58 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.878 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.7 m -106.41 140.65 38.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.875 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -145.49 170.43 16.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 64.44 110.855 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.65 0.738 . . . . 70.02 110.997 -179.902 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.869 0.366 . . . . 72.24 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.2 t -104.16 125.1 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 72.44 111.109 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.0 m -111.18 115.88 30.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.897 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.0 p -128.95 170.7 13.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.824 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 74.6 m -80.66 119.9 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 71.34 110.809 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -123.2 150.21 43.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 72.45 110.921 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.16 154.71 37.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.526 0.679 . . . . 65.1 110.961 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 73.41 112.344 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.924 0.392 . . . . 43.11 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.5 m -108.98 86.14 3.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 71.25 111.215 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -166.67 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.678 2.252 . . . . 74.12 112.374 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.55 155.19 39.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.931 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.0 mt 64.8 31.16 11.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 72.32 110.916 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -135.12 139.16 44.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 73.35 110.88 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.96 146.73 10.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 72.33 110.851 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.3 p -140.28 26.86 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.856 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 p -71.73 -24.31 61.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 64.25 110.831 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -62.97 -46.4 87.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 72.14 110.874 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -162.51 119.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.838 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -57.31 -23.63 49.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.853 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -99.48 25.71 6.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.801 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.5 t -100.34 -29.33 12.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 72.33 110.887 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.5 m -51.68 143.36 12.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 71.45 110.923 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.1 m -52.02 170.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 74.11 110.94 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -131.38 169.47 15.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 72.14 110.877 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.02 -172.43 16.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.695 -0.764 . . . . 70.04 112.457 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -94.6 -25.3 16.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 74.32 110.857 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.8 mtm -90.2 -66.78 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 74.21 110.877 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -143.47 151.4 40.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 70.04 110.893 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -94.16 151.56 19.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 75.33 110.854 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -69.64 142.68 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.903 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -111.86 138.15 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.33 111.095 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.11 131.02 43.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.5 110.881 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.39 121.5 27.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 74.24 110.887 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 63.5 m -99.46 142.44 30.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.882 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -146.09 159.48 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 64.44 110.895 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 70.02 110.967 -179.9 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.932 0.396 . . . . 72.24 110.913 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.9 t -86.14 114.86 26.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 72.44 111.133 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.0 m -107.22 115.25 29.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 73.22 110.848 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.6 p -124.48 169.33 11.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.838 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.32 120.32 24.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 71.34 110.925 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -127.7 152.32 47.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 72.45 110.848 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -101.48 156.66 34.9 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 65.1 110.892 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.235 . . . . 73.41 112.384 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.8 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.895 0.378 . . . . 43.11 110.915 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.0 m -131.39 90.09 38.92 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.575 0.702 . . . . 71.25 111.183 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -165.53 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.703 2.268 . . . . 74.12 112.346 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.77 152.8 44.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.86 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.7 mt 65.02 32.25 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 72.32 110.967 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -135.28 141.0 45.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.901 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -51.72 132.91 31.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.852 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 p -118.26 12.99 13.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.91 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 p -60.2 -20.45 58.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 64.25 110.831 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -69.82 -50.56 41.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 72.14 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.19 121.84 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 73.23 110.865 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -24.2 67.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.881 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -99.23 5.54 46.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.84 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -90.05 -25.66 20.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 72.33 110.857 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.1 m -52.19 142.48 16.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 71.45 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.4 m -50.66 168.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 74.11 110.895 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -129.89 149.64 51.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 72.14 110.914 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.52 -159.29 18.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 70.04 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -98.54 -25.48 14.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 74.32 110.872 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.0 mtm -92.07 -70.52 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.883 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -136.67 162.7 32.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 70.04 110.819 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -92.21 144.71 25.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 75.33 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -68.39 144.42 54.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.981 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -107.66 173.2 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.094 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.63 130.37 39.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 74.5 110.885 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.42 119.06 23.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.799 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.9 m -99.53 141.53 32.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 73.42 110.88 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -145.25 172.31 13.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 64.44 110.886 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 70.02 110.947 -179.914 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.91 0.386 . . . . 72.24 110.914 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.1 t -119.65 129.74 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 72.44 111.159 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.1 m -112.08 124.17 51.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.22 110.9 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.9 p -130.28 173.09 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 73.25 110.894 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.4 m -80.73 123.15 27.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 71.34 110.918 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -131.93 157.64 43.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 72.45 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.27 159.61 64.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.544 0.688 . . . . 65.1 111.001 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 73.41 112.322 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.935 0.398 . . . . 43.11 110.811 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.5 m -109.0 87.62 4.82 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.566 0.698 . . . . 71.25 111.085 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -168.18 0.26 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.685 2.257 . . . . 74.12 112.291 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.04 159.8 27.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.918 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.5 mt 55.95 30.62 16.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 72.32 110.905 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -132.5 141.26 48.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 73.35 110.854 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -62.91 140.08 58.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.854 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.2 p -135.91 28.86 3.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.876 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.6 t -59.65 -26.83 65.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 64.25 110.881 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -62.89 -36.1 82.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 72.14 110.818 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.85 123.06 1.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 73.23 110.867 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -64.61 -17.14 63.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.843 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -107.44 3.75 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.853 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 t -74.5 -23.04 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.879 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 55.8 m -51.69 140.87 17.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 71.45 110.865 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.8 m -51.23 169.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.886 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -132.61 171.46 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 72.14 110.903 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.43 -170.77 15.9 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.697 -0.763 . . . . 70.04 112.456 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -97.92 -24.7 15.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.747 0.308 . . . . 74.32 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.2 mtm -90.32 -68.94 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.85 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -136.77 150.77 48.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 70.04 110.849 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -99.88 139.87 34.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 75.33 110.922 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -66.1 149.5 50.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.877 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.3 m -115.44 129.65 71.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.038 -0.528 . . . . 74.33 111.091 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 7.1 m -74.12 105.03 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.5 110.928 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.37 143.8 30.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 74.24 110.911 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 70.9 m -113.95 139.69 49.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.881 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -145.63 -173.45 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 70.02 110.955 -179.84 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.918 0.39 . . . . 72.24 110.831 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.6 t -85.15 116.38 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 72.44 111.107 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.8 m -110.87 114.33 27.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.927 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.5 p -128.48 166.76 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 73.25 110.864 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.3 m -81.13 120.25 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 71.34 110.912 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -123.89 150.26 44.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 72.45 110.969 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -100.38 155.68 36.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 65.1 110.873 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.142 0 C-N-CA 122.739 2.293 . . . . 73.41 112.358 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.857 0.36 . . . . 43.11 110.93 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.0 m -108.73 87.59 4.56 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.561 0.696 . . . . 71.25 111.135 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -167.75 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.708 2.272 . . . . 74.12 112.288 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.32 154.36 41.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.913 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.2 mt 63.93 29.91 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 72.32 110.981 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -134.63 139.24 45.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.35 110.837 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -60.51 142.05 55.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.847 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.8 p -139.66 28.18 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.88 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 p -62.08 -24.6 67.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 64.25 110.821 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -59.61 -39.66 84.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.884 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.21 120.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.855 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -54.37 -28.63 44.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.86 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.54 30.67 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 74.45 110.843 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 p -99.53 -26.29 14.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 72.33 110.841 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 62.0 m -53.74 149.62 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.868 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.7 m -58.49 -172.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 74.11 110.809 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -128.04 -6.75 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 72.14 110.846 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.4 172.89 0.39 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 70.04 112.526 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -73.93 -48.35 31.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 74.32 110.862 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.9 ttp -124.6 -36.18 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.852 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -100.22 128.8 46.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.429 . . . . 70.04 110.836 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.15 131.75 44.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 75.33 110.894 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -81.32 145.88 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 74.22 110.932 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 m -117.85 136.29 55.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.11 -0.495 . . . . 74.33 111.112 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 4.0 m -70.57 119.66 15.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.5 110.939 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.31 138.07 54.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.855 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.8 m -113.2 141.25 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 73.42 110.913 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -145.82 -170.8 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 64.44 110.878 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.631 0.729 . . . . 70.02 110.933 -179.786 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.929 0.395 . . . . 72.24 110.913 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 t -133.83 119.75 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 72.44 111.102 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.6 m -105.09 110.95 23.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.884 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 p -129.95 165.55 21.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 73.25 110.842 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.2 m -80.55 123.12 27.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 71.34 110.883 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -125.76 151.28 46.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.904 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -100.07 154.68 37.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 65.1 110.951 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.272 . . . . 73.41 112.334 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.938 0.399 . . . . 43.11 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.6 m -109.01 86.05 3.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.567 0.698 . . . . 71.25 111.145 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -165.61 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 74.12 112.387 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.85 155.77 38.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.922 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mt 66.24 30.6 9.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 72.32 110.945 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -135.47 138.52 43.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 73.35 110.785 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -52.8 147.73 8.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 72.33 110.919 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 p -139.01 19.01 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 74.21 110.901 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.9 t -56.62 -26.95 57.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 64.25 110.838 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -65.87 -43.08 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 72.14 110.794 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.95 118.39 2.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.419 . . . . 73.23 110.823 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -61.51 -17.87 56.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.862 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -115.0 25.83 10.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 74.45 110.875 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.8 t -96.91 -22.14 17.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.87 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.0 m -52.14 158.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 71.45 110.855 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.1 m -57.74 -174.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.868 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.49 -41.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.871 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.63 164.7 0.31 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.763 . . . . 70.04 112.458 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.19 -13.91 54.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 74.32 110.905 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.7 mtm -90.18 -72.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.835 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -147.87 155.02 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.924 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -88.76 138.1 31.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.9 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -77.53 142.89 38.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.898 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.0 m -109.8 139.66 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 74.33 111.155 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.18 121.73 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.5 110.927 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.93 130.45 52.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.867 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.6 m -106.4 137.02 45.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 73.42 110.808 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -145.24 170.55 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 64.44 110.882 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.668 0.747 . . . . 70.02 110.878 -179.836 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.855 0.359 . . . . 72.24 110.848 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.4 t -94.9 120.85 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 72.44 111.154 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.1 m -107.15 114.3 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.22 110.878 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 p -126.47 168.36 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 73.25 110.884 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 83.3 m -80.04 119.74 23.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 71.34 110.868 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -129.02 152.5 48.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.954 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -101.12 156.6 34.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 65.1 110.931 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.747 2.298 . . . . 73.41 112.329 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.855 0.36 . . . . 73.22 111.092 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -78.06 -53.63 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.901 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.98 144.01 54.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 53.54 111.09 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -84.22 -170.42 3.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 43.11 110.899 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.3 m -109.14 86.22 3.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 71.25 111.124 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -169.23 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.7 2.267 . . . . 74.12 112.346 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.34 154.69 40.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.932 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.6 mt 62.57 29.44 16.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.959 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -133.66 140.36 47.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.82 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.58 140.07 57.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.876 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.7 p -132.19 26.79 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.924 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.3 t -60.59 -27.54 67.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 64.25 110.867 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -60.84 -34.73 75.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 72.14 110.821 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.98 121.25 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.86 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -60.97 -18.31 56.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.21 110.896 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -116.41 26.97 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 74.45 110.821 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -94.66 -20.16 19.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.827 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.2 m -51.28 143.63 10.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.838 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.8 m -51.39 169.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.898 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -130.8 158.05 41.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.87 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.94 -174.17 13.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.786 -0.721 . . . . 70.04 112.56 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -88.24 -36.4 16.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 74.32 110.871 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.6 mtm -90.15 -72.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.901 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -127.61 148.97 50.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 70.04 110.913 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 171.02 8.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 75.33 110.863 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -87.73 139.39 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 74.22 110.883 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -109.78 132.45 57.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 74.33 111.116 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 m -70.49 128.89 37.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.5 110.9 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.71 131.86 46.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.881 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 64.7 m -104.6 140.9 37.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.865 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -145.54 170.12 17.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 64.44 110.847 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -110.4 82.23 2.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.716 0.769 . . . . 70.02 110.898 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 70.29 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 72.22 112.385 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 63.84 26.31 14.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 60.11 110.912 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.54 34.18 1.62 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.752 . . . . 75.12 112.484 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -62.49 -20.44 64.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 74.34 110.876 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -95.21 -16.95 22.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.861 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -99.89 -68.44 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 71.11 110.93 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -160.12 162.99 34.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 73.54 111.152 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -106.16 145.73 31.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 72.24 110.912 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 82.8 t -106.32 127.96 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.44 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.0 m -112.25 113.35 25.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.849 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.4 p -123.93 167.8 13.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.9 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.1 m -80.61 124.52 29.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.889 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -124.7 150.46 46.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.45 110.95 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -100.02 154.62 37.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 65.1 110.897 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -175.45 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.65 2.233 . . . . 73.41 112.368 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -156.08 178.33 10.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 72.13 110.94 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.29 22.02 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 70.42 110.861 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 52.05 48.07 23.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.87 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -159.94 97.47 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.9 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.0 mm -117.21 -15.62 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 74.13 111.136 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.58 100.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 55.45 111.04 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -128.15 29.18 5.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 72.24 110.915 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -149.35 88.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.942 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.8 pt -147.86 28.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 63.5 111.158 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mp -60.23 -39.25 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.093 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -91.52 166.64 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.862 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -92.28 170.17 10.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.892 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.91 116.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 73.53 111.095 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.8 55.83 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.903 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.4 t -157.97 140.63 14.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 74.12 111.127 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 m -56.14 118.42 4.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 72.34 111.135 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 74.24 110.889 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.838 0.352 . . . . 73.22 111.105 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -101.1 -44.24 5.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 75.41 110.924 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.37 17.2 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 53.54 111.039 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.4 p -72.76 -170.65 0.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 43.11 110.899 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.17 86.44 4.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.601 0.715 . . . . 71.25 111.126 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -169.27 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.765 2.31 . . . . 74.12 112.33 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.08 152.32 45.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.924 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.0 mt 64.23 29.72 13.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.917 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -132.6 140.82 48.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 73.35 110.852 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.3 129.59 40.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.888 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -123.23 25.6 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.894 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.2 t -53.22 -28.33 26.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 64.25 110.913 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -59.6 -35.84 75.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 72.14 110.85 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.27 120.22 1.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.892 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -61.04 -18.21 56.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 74.21 110.923 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -116.09 27.1 9.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 74.45 110.854 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -97.18 -17.4 19.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 72.33 110.865 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 67.2 m -51.41 144.61 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 71.45 110.851 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.4 m -51.05 168.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.905 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 ptt85 -134.88 166.0 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 72.14 110.876 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.12 -166.56 11.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 70.04 112.463 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -78.19 -30.33 48.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 74.32 110.818 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 44.1 mtm -92.4 -72.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.868 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -144.24 159.14 43.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 70.04 110.85 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -95.41 157.89 15.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 75.33 110.885 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.79 161.25 15.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.872 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 m -111.3 129.4 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 74.33 111.126 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 3.1 m -75.5 107.04 7.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 74.5 110.847 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.22 142.95 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.88 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.2 m -116.31 139.5 50.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -145.58 -172.87 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 64.44 110.877 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -121.4 151.9 57.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.687 0.756 . . . . 70.02 110.921 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.82 14.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 72.22 112.341 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 65.47 27.63 11.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 60.11 110.92 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.15 -55.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 75.12 112.533 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -100.35 97.73 8.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.874 0.369 . . . . 74.34 110.832 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -84.31 54.02 2.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 75.13 110.844 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.01 -20.74 10.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.853 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -155.05 144.77 21.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 73.54 111.122 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -96.49 128.76 43.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.846 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.5 t -82.26 115.5 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 72.44 111.126 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.81 112.74 24.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 73.22 110.865 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.8 p -129.25 165.98 20.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 73.25 110.879 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.8 m -80.54 124.57 29.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 71.34 110.903 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -126.97 162.36 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 72.45 110.877 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.22 159.27 54.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 65.1 110.9 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -175.44 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.266 . . . . 73.41 112.332 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -51.92 108.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 72.13 110.855 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.2 -171.17 3.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 70.42 110.921 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.73 -167.96 2.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 74.44 110.826 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.93 40.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.875 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.2 mt -118.92 124.88 73.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.182 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 57.44 39.56 27.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 55.45 111.13 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -118.73 25.17 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 72.24 110.909 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -118.0 155.72 29.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 74.44 110.867 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.0 pt -126.35 171.65 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 63.5 111.132 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -108.08 135.5 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.22 111.144 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.65 139.01 58.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 75.13 110.851 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -80.96 78.49 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 73.11 110.924 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.38 151.82 32.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 73.53 111.165 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -55.34 124.41 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 74.13 110.866 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.62 90.43 8.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 74.12 111.108 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.52 161.62 9.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 72.34 111.132 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.2 tt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.952 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.798 0.332 . . . . 73.22 111.078 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -127.96 158.65 37.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 75.41 110.898 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.97 149.69 35.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 53.54 111.082 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -96.74 -170.45 2.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 43.11 110.928 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.3 m -109.12 86.77 4.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.712 . . . . 71.25 111.184 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -167.04 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.712 2.274 . . . . 74.12 112.371 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.28 152.98 44.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.937 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.9 mt 64.25 29.63 13.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.464 . . . . 72.32 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -132.47 138.91 47.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 73.35 110.816 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.95 136.66 58.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.818 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -127.37 18.18 6.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.1 t -54.37 -34.42 61.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 64.25 110.864 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -59.7 -34.02 72.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 72.14 110.851 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -164.2 118.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.865 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -66.29 -13.6 60.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.912 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -111.64 4.91 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.874 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.84 -21.21 51.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.875 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 35.1 m -51.95 139.76 21.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 71.45 110.821 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.3 m -51.16 169.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.921 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.03 160.12 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 72.14 110.861 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.22 -170.23 13.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.808 -0.711 . . . . 70.04 112.481 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -84.67 -37.54 20.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 74.32 110.868 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.6 mtt -89.99 -68.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.21 110.929 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -134.63 158.12 44.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 70.04 110.854 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.47 151.62 20.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 75.33 110.967 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -61.24 156.7 17.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 74.22 110.903 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 m -113.73 130.22 68.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.33 111.156 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 1.7 m -72.0 112.74 8.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 74.5 110.896 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.8 144.75 37.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.102 -0.499 . . . . 74.24 110.893 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.7 m -115.9 140.17 49.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.872 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -145.69 -177.25 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 64.44 110.867 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -135.07 150.85 74.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.726 0.774 . . . . 70.02 110.904 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -0.25 6.64 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.243 . . . . 72.22 112.352 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 71.12 30.21 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 60.11 110.892 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.67 -52.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 75.12 112.457 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -100.85 105.48 16.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 74.34 110.884 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -90.25 21.68 3.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -100.11 -15.23 18.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 71.11 110.934 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.4 m -145.85 130.65 18.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 73.54 111.113 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -106.6 129.31 54.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 72.24 110.89 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 t -83.06 118.23 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.44 111.119 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.1 m -112.56 112.07 23.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 73.22 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 p -128.2 171.0 12.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.816 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.8 m -80.95 125.12 29.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 71.34 110.877 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -129.33 162.36 28.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.897 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.47 159.55 55.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.559 0.695 . . . . 65.1 110.861 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -175.48 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.622 2.215 . . . . 73.41 112.355 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.28 94.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 72.13 110.885 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 m -79.61 -170.46 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 70.42 110.86 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -53.96 -61.02 2.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 74.44 110.882 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.0 91.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.912 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 pt -116.82 -15.66 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 74.13 111.155 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -150.97 -67.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 55.45 111.091 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.82 39.24 17.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.858 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.4 mttm 52.09 45.99 27.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.918 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 tt -69.84 121.62 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.418 . . . . 63.5 111.123 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.4 mm 51.76 81.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 74.22 111.13 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.1 150.79 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.848 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.16 150.3 48.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.892 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -153.73 155.1 35.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 73.53 111.059 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -116.28 172.5 7.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.13 110.917 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.14 145.73 50.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 74.12 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -79.67 -28.35 40.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 72.34 111.108 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.2 tt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.91 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.853 0.359 . . . . 73.22 111.135 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm 61.77 32.53 18.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 75.41 110.891 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.9 147.98 52.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 53.54 111.127 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p -91.3 -170.67 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 43.11 110.91 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.1 m -109.04 87.23 4.51 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.611 0.72 . . . . 71.25 111.137 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -165.83 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.72 2.28 . . . . 74.12 112.306 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.08 154.38 41.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 74.42 110.869 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt 66.25 31.34 8.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 72.32 110.985 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -135.81 135.04 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.803 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -51.49 150.8 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 72.33 110.914 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -139.38 11.69 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 74.21 110.89 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.3 t -59.21 -27.84 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 64.25 110.85 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -66.18 -36.48 83.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 72.14 110.869 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -164.85 117.28 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -66.19 -13.11 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.878 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -111.25 19.59 18.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 74.45 110.858 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.17 -25.39 16.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 72.33 110.868 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.1 m -52.77 146.64 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 71.45 110.899 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.8 m -58.57 -172.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.944 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -129.04 -35.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 72.14 110.799 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.72 163.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 70.04 112.525 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -80.83 -11.88 59.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.833 0.349 . . . . 74.32 110.904 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.0 ttp -90.3 -76.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.845 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -150.45 147.7 27.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 70.04 110.909 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.82 154.41 18.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 75.33 110.889 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -90.7 145.01 25.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 74.22 110.937 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.83 138.56 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 74.33 111.154 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 m -70.43 134.23 47.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.5 110.919 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.43 119.97 23.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.851 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.4 m -100.63 134.31 43.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.945 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -145.23 170.2 16.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 64.44 110.866 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -110.76 81.84 2.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.685 0.755 . . . . 70.02 111.002 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 67.45 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 72.22 112.306 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 50.17 30.29 4.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 60.11 110.935 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.75 87.11 1.15 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.749 -0.739 . . . . 75.12 112.514 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -77.52 -42.14 36.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 74.34 110.938 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -100.43 -10.8 20.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 75.13 110.864 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -99.88 -167.19 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 71.11 110.822 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.0 t -123.26 -179.24 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 73.54 111.138 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -56.97 125.89 24.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 72.24 110.902 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.9 t -94.71 120.76 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 72.44 111.155 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.2 m -108.37 119.2 38.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.897 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.9 p -128.15 169.38 14.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.876 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.8 m -80.78 121.44 25.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.893 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -128.91 156.38 43.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 72.45 110.942 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -100.06 160.53 26.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.722 . . . . 65.1 110.89 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -175.53 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 73.41 112.361 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.84 130.24 44.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.875 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.4 p -139.71 54.74 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 70.42 110.916 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -146.9 56.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 74.44 110.853 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.79 36.73 0.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.429 . . . . 71.14 110.881 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 tt -176.57 -34.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.13 111.081 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.75 100.23 12.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 55.45 111.145 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.66 26.78 0.33 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 72.24 110.862 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -115.71 175.8 5.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.815 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 68.3 mt 60.33 78.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 63.5 111.088 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.53 117.87 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 74.22 111.153 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -158.25 97.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.842 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.87 122.21 3.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 73.11 110.853 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -176.6 58.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 73.53 111.152 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -110.33 88.23 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.905 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.2 m -119.47 109.65 15.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 74.12 111.163 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 t -125.88 147.63 49.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.096 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.2 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 74.24 110.895 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.828 0.347 . . . . 73.22 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -89.3 -36.68 15.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 75.41 110.887 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.76 18.87 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 53.54 111.071 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -61.79 -170.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 43.11 110.893 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.1 m -109.24 86.21 3.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.55 0.69 . . . . 71.25 111.085 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -167.37 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.725 2.283 . . . . 74.12 112.282 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.23 155.28 39.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 74.42 110.931 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.4 mt 64.98 30.37 11.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 72.32 110.867 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -135.35 138.61 43.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.862 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -51.38 139.02 20.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.893 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -126.77 -0.52 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.878 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -29.02 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 64.25 110.906 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -60.4 -36.64 78.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 72.14 110.842 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -164.7 118.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.906 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -63.5 -16.0 59.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.876 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -115.61 24.18 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.85 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.28 -26.05 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 72.33 110.93 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.5 m -52.64 142.94 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 71.45 110.947 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.3 m -51.71 169.75 0.06 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 74.11 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -132.64 171.1 14.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.893 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.26 -147.31 5.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 70.04 112.549 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -95.68 -35.78 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 74.32 110.819 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -93.23 -66.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.923 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -144.23 160.34 41.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 70.04 110.9 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -94.75 166.81 11.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 75.33 110.979 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -64.1 154.89 33.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 74.22 110.937 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.51 145.62 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.33 111.075 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 m -77.08 128.12 33.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 74.5 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.03 117.98 23.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 74.24 110.856 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.1 m -99.36 124.57 44.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.885 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -145.88 -178.55 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.93 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -111.93 78.85 2.4 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.697 0.76 . . . . 70.02 110.94 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 66.37 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.653 2.235 . . . . 72.22 112.365 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 50.15 30.41 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 60.11 110.849 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.56 80.01 0.2 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 75.12 112.483 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -100.3 79.37 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.345 . . . . 74.34 110.848 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -90.13 -74.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.827 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.3 -70.88 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 71.11 110.867 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.2 t -125.27 174.78 7.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 73.54 111.189 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -66.88 140.04 57.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 72.24 110.911 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.0 t -74.25 113.87 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 72.44 111.182 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.0 m -99.72 118.41 36.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.829 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.7 p -129.63 169.66 14.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.25 110.878 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 66.9 m -81.06 119.28 23.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.869 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -123.22 159.7 28.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 72.45 110.86 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -59.83 153.76 51.69 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.582 0.706 . . . . 65.1 110.95 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -175.44 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 73.41 112.327 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -151.45 37.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.882 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.91 3.24 5.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 70.42 110.902 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -173.86 124.11 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 74.44 110.855 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -146.91 -75.46 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 71.14 110.917 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.0 tp -117.97 -26.8 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 74.13 111.17 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -178.37 -37.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 55.45 111.124 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 58.59 63.47 1.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.906 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -115.49 -24.77 8.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.882 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.7 mt 62.65 92.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 63.5 111.146 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 pt -66.42 -23.7 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 74.22 111.129 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.66 106.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.84 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.36 105.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.922 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.24 -175.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 73.53 111.13 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -118.12 158.22 25.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.424 . . . . 74.13 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.53 174.21 5.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 74.12 111.14 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.31 169.75 17.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 72.34 111.142 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.916 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.878 0.371 . . . . 73.22 111.085 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -173.14 163.66 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.881 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.32 170.51 5.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 53.54 111.168 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.1 p -93.27 -170.89 2.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 43.11 110.851 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.2 m -108.98 87.16 4.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.538 0.685 . . . . 71.25 111.167 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -167.04 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.634 2.223 . . . . 74.12 112.334 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.69 152.5 45.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.938 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.1 mt 64.11 31.31 13.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.94 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -134.22 138.21 44.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.868 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.22 139.0 53.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 72.33 110.867 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -128.36 18.65 6.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.867 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -60.36 -30.99 69.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 64.25 110.866 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -60.06 -33.05 71.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 72.14 110.844 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -164.6 117.87 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.888 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -17.63 55.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.877 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -115.75 26.98 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 74.45 110.827 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -96.29 -21.93 17.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.91 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.1 m -52.26 140.09 22.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 71.45 110.903 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.2 m -52.66 172.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.862 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -131.57 161.53 32.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 72.14 110.833 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.98 -173.89 13.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 70.04 112.484 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -98.95 -23.9 15.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.843 0.354 . . . . 74.32 110.881 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.7 ttt -89.99 -61.53 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 74.21 110.887 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -142.55 151.14 41.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 70.04 110.836 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -98.13 140.78 31.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 75.33 110.932 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -66.86 139.31 57.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.927 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.6 m -112.44 134.64 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.33 111.16 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.4 m -71.69 113.92 9.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 74.5 110.913 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -115.42 130.94 57.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.856 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 78.2 m -105.88 123.14 47.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.85 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -145.66 166.06 26.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 64.44 110.888 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -111.92 145.91 33.69 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.656 0.741 . . . . 70.02 110.942 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 63.33 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.642 2.228 . . . . 72.22 112.377 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 49.94 25.61 1.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 60.11 110.964 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.38 128.59 1.19 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.678 -0.772 . . . . 75.12 112.462 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -87.29 89.02 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 74.34 110.901 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -97.23 -50.09 4.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.899 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -111.7 -76.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 71.11 110.92 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.22 -172.51 4.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 73.54 111.176 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -83.05 134.29 35.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 72.24 110.912 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 t -90.77 112.8 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.135 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.7 m -99.88 108.18 20.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.847 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 p -127.0 170.29 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.786 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.8 m -80.96 116.88 21.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 71.34 110.859 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -122.89 158.77 29.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.923 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.25 159.26 59.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.572 0.701 . . . . 65.1 110.879 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -175.46 1.16 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.707 2.271 . . . . 73.41 112.304 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.81 77.28 1.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.837 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.7 m -154.12 155.08 34.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 70.42 110.882 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -145.46 -167.65 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.34 91.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 71.14 110.91 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.5 tp -159.53 138.12 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 74.13 111.185 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 69.05 -77.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 55.45 111.003 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 59.68 84.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 72.24 110.862 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -129.96 130.77 45.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.91 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pt -151.32 108.08 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 63.5 111.156 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mp -85.89 -50.07 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.22 111.145 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -142.95 135.19 27.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.871 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.23 85.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 73.11 110.831 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -169.12 166.21 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.53 111.136 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.22 161.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 74.13 110.898 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 t 179.23 74.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 74.12 111.174 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.7 t -136.46 132.03 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 72.34 111.134 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.956 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.827 0.346 . . . . 73.22 111.131 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -104.45 108.85 20.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.936 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.25 16.47 5.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 53.54 111.077 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.3 p -69.41 -170.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 43.11 110.978 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.8 m -109.13 87.47 4.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.698 . . . . 71.25 111.127 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -169.12 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.702 2.268 . . . . 74.12 112.356 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.39 159.42 29.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.912 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.1 mt 56.44 28.65 13.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.32 110.882 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -130.12 141.84 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 73.35 110.865 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -61.35 138.23 58.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.831 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.4 p -134.7 26.85 3.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 74.21 110.967 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -63.8 -24.93 67.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 64.25 110.806 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -66.51 -30.74 71.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 72.14 110.913 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.17 120.19 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.857 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -65.35 -14.54 61.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.838 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -112.06 4.33 17.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.806 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -74.2 -21.46 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 72.33 110.913 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 35.0 m -52.24 139.57 23.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 71.45 110.868 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.6 m -51.91 166.04 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.506 . . . . 74.11 110.946 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 126.37 38.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.877 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.08 -148.66 6.09 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.744 -0.741 . . . . 70.04 112.491 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -100.03 -45.33 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 74.32 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 ttm -89.33 -61.56 1.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.862 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -131.97 154.0 49.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 70.04 110.883 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.39 159.37 15.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.942 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -67.49 156.19 37.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.304 -0.407 . . . . 74.22 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -114.59 133.04 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 74.33 111.179 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 7.9 m -73.96 119.7 18.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.5 110.809 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.08 141.76 51.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 74.24 110.801 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.9 m -112.87 130.97 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.853 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -146.21 177.47 8.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.862 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -111.67 80.11 2.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.73 0.776 . . . . 70.02 110.943 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 65.19 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.615 2.21 . . . . 72.22 112.388 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 46.93 31.12 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 60.11 110.912 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.0 80.16 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 75.12 112.453 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -100.17 73.48 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 74.34 110.883 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -64.41 -73.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.842 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -112.41 -35.91 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 71.11 110.905 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.34 167.22 29.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 73.54 111.209 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -57.28 141.17 47.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 72.24 110.813 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.5 t -74.49 118.59 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 72.44 111.12 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.3 m -99.55 110.61 23.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.857 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 p -128.92 169.05 15.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 73.25 110.942 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 77.3 m -80.64 122.74 27.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.899 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -124.17 149.37 46.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 72.45 110.933 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -100.13 155.86 35.94 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.599 0.714 . . . . 65.1 110.928 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -175.26 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 73.41 112.342 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.43 175.54 7.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 72.13 110.885 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.1 m -142.54 140.41 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 70.42 110.863 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -120.69 32.38 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.837 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -141.98 26.61 1.86 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 71.14 110.836 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.2 pt -141.63 149.53 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 74.13 111.068 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 53.15 36.09 21.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 55.45 111.127 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.29 95.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 72.24 110.847 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -165.68 130.09 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 74.44 110.916 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.6 mt -76.48 123.08 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 63.5 111.084 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mt -88.17 129.38 39.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.12 -0.491 . . . . 74.22 111.131 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.44 144.34 57.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.895 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -57.18 -65.26 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 73.11 110.937 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.77 149.69 3.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 73.53 111.123 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.49 110.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.278 -0.419 . . . . 74.13 110.86 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.35 153.07 16.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.084 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.77 160.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 72.34 111.132 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 74.24 110.906 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.869 0.366 . . . . 73.22 111.106 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.65 101.07 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 75.41 110.885 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.36 16.62 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 53.54 111.095 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.9 p -66.47 -170.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 43.11 110.821 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.2 m -109.08 86.36 3.91 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.535 0.683 . . . . 71.25 111.17 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -166.26 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.662 2.241 . . . . 74.12 112.356 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.07 153.91 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.935 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mt 65.5 32.48 9.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.92 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -135.21 136.12 41.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.35 110.913 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.95 146.72 8.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.875 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 p -140.35 18.68 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.837 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t -62.15 -42.97 99.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 64.25 110.862 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -59.46 -31.68 69.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 72.14 110.865 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.16 97.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.82 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptt85 -62.75 -19.23 63.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.861 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -99.81 18.6 17.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.889 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -100.42 -16.96 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 72.33 110.914 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.7 m -51.11 143.49 10.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 71.45 110.922 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.2 m -51.86 170.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.837 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -131.81 162.71 29.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 72.14 110.878 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.27 -170.68 12.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.755 . . . . 70.04 112.52 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.72 -30.32 16.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.755 0.312 . . . . 74.32 110.862 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.2 mtp -90.1 -67.83 0.82 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 74.21 110.835 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -139.81 149.38 43.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 70.04 110.962 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.45 148.85 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.913 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -67.55 134.49 51.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.963 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.6 m -107.43 144.05 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 74.33 111.077 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 t -73.34 112.91 9.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 74.5 110.856 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.06 136.78 52.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.859 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.0 m -108.85 142.23 39.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.877 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -145.41 169.83 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 64.44 110.838 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -110.33 82.32 2.65 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.692 0.758 . . . . 70.02 110.914 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 70.38 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 72.22 112.327 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 63.65 27.81 14.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 60.11 110.928 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -143.65 32.69 1.82 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 75.12 112.461 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -59.89 -22.12 61.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 74.34 110.932 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -95.96 -15.61 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 75.13 110.857 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -99.92 -71.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 71.11 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.24 163.11 36.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 73.54 111.183 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -106.05 147.27 29.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.1 t -107.28 126.64 63.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 72.44 111.077 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.3 m -110.61 112.44 24.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.22 110.874 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 p -126.71 171.64 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.82 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.3 m -80.22 124.37 28.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 71.34 110.932 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -131.06 165.12 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.895 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.54 159.07 62.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 65.1 110.856 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -175.44 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 73.41 112.367 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -83.93 127.26 33.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 72.13 110.914 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.93 115.8 9.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 70.42 110.905 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -144.42 -69.98 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.891 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -171.24 -75.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.878 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.6 mm 52.01 84.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 74.13 111.095 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 69.06 -77.16 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 55.45 111.099 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.4 95.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 72.24 110.845 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -107.18 -176.39 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.939 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.9 pt -122.38 167.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 63.5 111.157 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.6 mt 70.7 -70.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.13 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.35 -75.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.864 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.15 170.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.978 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -168.09 -46.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 73.53 111.105 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.97 -173.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.89 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.0 t -148.35 159.67 43.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.186 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.8 t -134.92 172.48 12.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.34 111.159 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.894 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.865 0.364 . . . . 73.22 111.105 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -99.58 160.33 14.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 75.41 110.864 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.86 132.55 54.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 53.54 111.117 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 p -90.54 -166.65 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 43.11 110.872 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.3 m -121.08 87.99 44.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.658 0.742 . . . . 71.25 111.189 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.65 -167.78 0.24 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.732 2.288 . . . . 74.12 112.362 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.16 152.18 46.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.941 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.4 mt 64.31 30.76 13.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.418 . . . . 72.32 110.943 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -134.77 139.5 45.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.939 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -61.81 139.35 58.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.452 . . . . 72.33 110.816 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.5 p -134.88 28.04 3.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.854 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.5 p -61.81 -25.74 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 64.25 110.863 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -39.57 83.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 72.14 110.843 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.91 120.31 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.23 110.829 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -54.95 -27.83 46.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.836 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -101.45 28.89 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.45 110.845 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.5 t -99.37 -22.09 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 72.33 110.831 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 45.2 m -56.37 143.71 33.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.879 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -47.0 161.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 74.11 110.856 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -129.98 166.82 19.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 72.14 110.904 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 177.3 174.11 43.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 70.04 112.497 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -58.86 -69.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.833 0.349 . . . . 74.32 110.918 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.0 mtm -123.15 36.2 4.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.831 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -134.99 9.04 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 70.04 110.87 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -51.37 131.57 28.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 75.33 110.906 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -95.89 144.12 26.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.949 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -109.57 127.59 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 74.33 111.189 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 2.0 m -70.46 112.14 6.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 74.5 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -116.36 142.58 46.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 74.24 110.912 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.9 m -114.91 140.37 49.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.836 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -145.84 -174.77 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 64.44 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -107.77 148.74 37.92 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.645 0.736 . . . . 70.02 110.936 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -6.37 18.42 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 72.22 112.297 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 65.42 29.97 11.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 60.11 110.912 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.2 -54.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.758 . . . . 75.12 112.419 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -100.37 96.55 7.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 74.34 110.85 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -83.6 53.62 2.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.484 . . . . 75.13 110.834 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -123.41 -8.48 8.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 71.11 110.94 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -160.56 151.64 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 73.54 111.214 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -103.38 127.73 50.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 72.24 110.833 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.4 t -82.7 114.57 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 72.44 111.06 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.7 m -108.81 110.42 21.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.1 p -129.38 165.66 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.917 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.9 m -80.56 121.51 25.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.34 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -122.16 169.58 10.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.885 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.65 159.23 49.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.599 0.714 . . . . 65.1 110.913 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -175.44 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 73.41 112.345 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.19 -169.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 72.13 110.934 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.92 158.4 32.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 70.42 110.829 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -107.58 82.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 74.44 110.891 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.89 -75.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.14 110.896 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.0 177.44 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 74.13 111.128 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.22 95.88 6.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 55.45 111.162 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -130.32 59.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 72.24 110.906 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.01 176.07 8.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 74.44 110.863 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 tt -150.12 136.04 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 63.5 111.133 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 tt -150.65 143.76 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 74.22 111.175 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.79 162.81 38.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.9 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.47 138.04 3.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.908 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -136.38 123.41 21.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 73.53 111.123 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.16 88.63 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.934 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.2 t -84.45 136.41 33.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 74.12 111.14 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.2 p -134.58 178.36 7.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 72.34 111.112 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.931 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.86 0.362 . . . . 73.22 111.083 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -84.18 105.09 14.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.875 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.56 18.93 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 53.54 111.121 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -62.26 -170.31 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 43.11 110.902 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.9 m -109.08 87.3 4.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.614 0.721 . . . . 71.25 111.125 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -167.58 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.649 2.232 . . . . 74.12 112.366 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.19 153.93 42.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 74.42 110.944 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.7 mt 64.19 31.88 12.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 72.32 110.889 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -135.53 138.98 43.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.882 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -56.0 143.2 33.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 72.33 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -137.77 25.41 2.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.904 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 t -70.67 -17.54 62.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 64.25 110.822 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -40.2 82.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 72.14 110.796 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -164.35 120.24 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 73.23 110.89 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -54.73 -28.11 45.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.803 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.86 29.89 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.881 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.0 p -100.2 -27.31 13.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.914 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.5 m -56.21 141.34 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.865 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.7 m -53.48 173.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.83 114.12 15.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 72.14 110.903 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.5 -150.42 2.68 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.69 -0.766 . . . . 70.04 112.509 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -99.96 -63.67 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.763 0.316 . . . . 74.32 110.809 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 ttt -104.95 -27.48 11.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -117.43 122.28 43.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 70.04 110.868 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -100.25 143.9 29.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.859 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -77.36 128.88 35.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.953 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 m -108.8 161.79 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 74.33 111.148 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.7 m -85.12 120.47 26.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 74.5 110.856 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.34 129.03 48.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 74.24 110.869 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.5 m -100.0 137.13 38.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.864 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -145.19 175.47 10.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 64.44 110.869 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -110.5 84.43 3.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.682 0.753 . . . . 70.02 110.885 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 72.46 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 72.22 112.335 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 65.01 31.23 11.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 60.11 110.873 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.37 125.03 17.16 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.766 -0.73 . . . . 75.12 112.553 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.54 -75.61 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 74.34 110.873 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.15 -68.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.825 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -140.22 112.51 7.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 71.11 110.826 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 m -161.49 58.29 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 73.54 111.169 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.5 119.93 16.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.868 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.6 t -102.39 124.55 56.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 72.44 111.121 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.2 m -102.03 111.1 23.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.888 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 p -124.89 174.01 8.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 73.25 110.869 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.0 m -81.09 125.72 30.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 71.34 110.889 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -124.67 156.61 37.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -106.92 85.59 1.99 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.616 0.722 . . . . 65.1 110.948 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -173.13 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 73.41 112.363 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.72 37.9 25.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 72.13 110.867 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.38 171.94 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 70.42 110.847 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 t60 52.06 67.72 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 74.44 110.854 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -164.66 28.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.918 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.2 tt -173.31 135.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.13 111.134 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 54.3 70.07 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 55.45 111.11 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.04 104.09 11.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 72.24 110.876 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.46 148.77 24.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.825 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 pp -141.32 131.73 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 63.5 111.134 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.5 mt -57.21 142.34 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 74.22 111.166 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.36 119.74 14.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.833 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.71 169.26 10.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.934 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -178.07 152.01 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 73.53 111.056 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.3 167.68 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 74.13 110.91 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.2 t -165.78 151.21 8.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 74.12 111.109 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.7 t -160.67 146.69 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 72.34 111.131 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.937 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.858 0.361 . . . . 73.22 111.13 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -67.94 -36.91 80.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.823 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.37 145.12 55.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 53.54 111.109 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p -74.98 -170.99 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 43.11 110.91 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.9 m -108.96 86.35 3.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.69 . . . . 71.25 111.145 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -167.41 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.688 2.258 . . . . 74.12 112.374 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.25 157.11 36.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.421 . . . . 74.42 110.932 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.6 mt 63.55 28.44 15.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.129 -0.487 . . . . 72.32 110.935 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -134.05 138.51 45.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 73.35 110.796 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.33 145.56 21.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.883 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 p -140.03 22.14 2.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.894 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 t -54.1 -27.6 34.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 64.25 110.855 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -59.75 -46.32 89.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.872 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.11 118.86 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.849 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -56.12 -24.93 43.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.872 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -103.65 26.89 7.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.836 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.2 t -99.84 -23.35 14.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.996 0.427 . . . . 72.33 110.887 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.5 m -52.87 151.95 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 71.45 110.862 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.9 m -52.86 173.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.873 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -130.56 169.22 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 72.14 110.839 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.13 -175.22 19.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.675 -0.774 . . . . 70.04 112.44 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -88.83 -25.83 21.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 74.32 110.845 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.9 ttp -91.11 -66.46 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 74.21 110.866 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -143.7 154.73 43.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 70.04 110.874 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -99.63 139.25 35.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 75.33 110.861 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -58.17 142.46 47.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.96 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -109.3 135.11 49.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 74.33 111.176 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 t -73.88 104.63 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.5 110.945 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.38 142.4 32.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.859 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 71.2 m -116.01 138.67 51.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.889 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -145.45 -175.9 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 64.44 110.829 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -133.13 152.87 80.38 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.671 0.748 . . . . 70.02 110.904 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -3.55 12.26 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.695 2.263 . . . . 72.22 112.351 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 67.27 25.62 8.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 60.11 110.899 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.73 -57.12 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.763 -0.732 . . . . 75.12 112.484 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -100.29 96.17 7.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 74.34 110.898 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -82.25 54.71 2.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.83 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -117.45 -26.0 6.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 71.11 110.872 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -147.57 145.61 29.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 73.54 111.182 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -104.46 127.55 52.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 72.24 110.871 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 t -82.73 118.8 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 72.44 111.157 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.3 m -111.51 114.77 28.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 73.22 110.939 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.6 p -130.16 170.1 14.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 73.25 110.848 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 80.7 m -80.12 124.71 29.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 71.34 110.956 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -130.66 150.18 51.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 72.45 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.498 ' C ' ' H ' ' A' ' 48' ' ' LYS . 5.3 pt20 -100.49 155.63 36.15 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.537 0.684 . . . . 65.1 110.905 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 34.78 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.731 2.287 . . . . 73.41 112.336 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' A' ' 46' ' ' GLN . 1.3 mmtt -115.17 80.46 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.893 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.49 122.98 17.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 70.42 110.848 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -175.58 129.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.863 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.4 59.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 71.14 110.902 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.8 mp 54.86 69.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 74.13 111.155 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -171.71 30.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 55.45 111.133 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -97.26 41.86 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -90.87 177.2 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.51 . . . . 74.44 110.92 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.3 tp -67.92 136.55 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 63.5 111.147 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.1 -66.26 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.22 111.155 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -173.76 98.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.858 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -134.91 66.7 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.947 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.8 -33.95 22.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 73.53 111.097 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.57 159.1 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 74.13 110.897 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 167.83 16.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 74.12 111.162 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.81 134.26 54.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.156 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.874 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.867 0.365 . . . . 73.22 111.175 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -144.89 159.18 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.41 110.904 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.6 159.47 18.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 53.54 111.068 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.1 p -99.23 -170.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 43.11 110.848 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -108.94 86.88 4.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.594 0.711 . . . . 71.25 111.133 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -165.82 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.708 2.272 . . . . 74.12 112.298 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.71 153.05 44.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.849 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mt 66.13 33.28 7.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 72.32 110.884 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -135.62 138.35 42.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.86 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -51.05 141.61 13.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.835 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 p -130.44 12.17 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.908 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t -62.56 -22.34 66.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.452 . . . . 64.25 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -69.45 -42.04 75.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.14 110.849 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -165.22 122.01 1.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.903 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -22.01 66.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.923 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -99.31 5.6 46.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.896 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.8 t -81.37 -27.93 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.851 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.1 m -53.56 141.22 26.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 71.45 110.858 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.0 m -52.25 172.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.926 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.25 155.4 46.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 72.14 110.862 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.92 165.9 26.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 70.04 112.456 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -82.29 -17.13 46.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.815 0.34 . . . . 74.32 110.907 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.6 mtt -89.9 -65.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.856 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -141.04 151.59 44.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.879 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.58 140.21 29.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.893 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -72.81 128.18 34.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 74.22 110.901 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.9 m -108.02 164.95 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 74.33 111.164 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.4 125.65 35.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.5 110.905 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.33 125.24 34.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.893 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.1 m -99.96 138.81 36.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.853 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -145.2 176.5 9.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 64.44 110.877 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -111.27 83.43 4.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.716 0.769 . . . . 70.02 110.875 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 71.93 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.724 2.283 . . . . 72.22 112.346 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 65.03 31.19 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 60.11 110.825 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.35 124.78 16.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 75.12 112.46 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -75.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 74.34 110.966 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.53 -70.85 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 75.13 110.868 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -140.08 113.76 8.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 71.11 110.871 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -161.7 52.53 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 73.54 111.131 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.95 120.05 10.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 72.24 110.859 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -102.67 124.09 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 72.44 111.05 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.1 m -102.95 119.22 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 73.22 110.894 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.1 p -129.46 176.21 8.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 73.25 110.812 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.3 m -80.87 117.8 21.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 71.34 110.851 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -127.5 159.12 35.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 72.45 110.914 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -83.86 159.62 60.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.718 . . . . 65.1 110.908 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.71 -175.7 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.273 . . . . 73.41 112.324 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.03 162.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 72.13 110.928 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.8 t 51.85 82.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 70.42 110.834 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.52 -73.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 74.44 110.868 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.87 35.28 18.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 71.14 110.838 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.8 tt -115.73 -15.56 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 74.13 111.124 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -137.77 47.42 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 55.45 111.04 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -90.25 58.25 4.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 72.24 110.83 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -117.24 160.49 21.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.914 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 tt -158.92 143.98 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 63.5 111.176 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 pt -142.35 171.83 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 74.22 111.151 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.99 138.31 58.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.872 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.3 107.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.951 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.09 153.68 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 73.53 111.052 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.89 137.35 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.13 110.934 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.8 p -84.36 125.8 32.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 74.12 111.16 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.76 177.38 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 72.34 111.127 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 74.24 111.012 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.83 0.348 . . . . 73.22 111.082 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -98.57 -36.32 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 75.41 110.838 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.28 141.85 54.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 53.54 111.074 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -78.15 -170.39 1.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 43.11 110.937 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -109.15 86.68 4.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.555 0.693 . . . . 71.25 111.097 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -167.43 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.728 2.286 . . . . 74.12 112.377 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.34 154.33 41.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 74.42 110.921 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.8 mt 65.13 30.47 11.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.85 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -135.48 137.47 42.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 73.35 110.84 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.61 143.66 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.866 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.8 p -134.58 20.23 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.906 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -22.22 66.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 64.25 110.857 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -62.98 -41.71 99.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 72.14 110.858 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.13 121.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 73.23 110.838 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -53.42 -31.29 44.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.86 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -100.35 31.78 3.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.859 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.0 t -99.96 -25.29 14.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.886 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.1 m -58.17 143.17 45.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 71.45 110.894 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.0 m -51.73 170.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.854 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -132.27 158.56 41.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 72.14 110.895 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.33 -158.73 9.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.712 -0.756 . . . . 70.04 112.468 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -99.77 -29.48 12.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.708 0.29 . . . . 74.32 110.801 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.4 ttp -89.34 -63.39 1.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 74.21 110.883 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -146.89 156.13 42.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 70.04 110.95 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -95.91 147.98 23.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 75.33 110.916 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -59.41 146.58 39.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.949 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 m -106.38 143.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 74.33 111.146 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -81.58 108.14 14.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.5 110.894 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.66 123.09 45.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.885 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.0 m -101.49 138.7 38.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 73.42 110.835 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -145.7 -171.48 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.933 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -126.58 151.47 73.1 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.676 0.75 . . . . 70.02 110.905 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -4.22 13.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.267 . . . . 72.22 112.361 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 66.52 28.47 9.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 60.11 110.862 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.85 -58.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 75.12 112.505 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -100.22 95.4 6.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.369 . . . . 74.34 110.875 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.74 54.46 2.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 75.13 110.858 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.25 -23.32 8.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 71.11 110.853 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.6 m -147.96 141.92 25.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 73.54 111.164 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -95.55 135.07 37.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 72.24 110.91 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 t -96.05 117.14 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 72.44 111.117 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.5 m -113.11 121.24 43.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.883 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.8 p -129.99 170.45 13.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.901 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.6 m -80.58 119.54 23.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.899 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -127.97 161.86 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 72.45 110.882 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.496 ' C ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -83.62 159.43 61.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.517 0.675 . . . . 65.1 110.978 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 35.0 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.713 2.275 . . . . 73.41 112.346 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.496 ' H ' ' C ' ' A' ' 46' ' ' GLN . 9.1 mmtt -92.6 96.11 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 72.13 110.951 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.55 125.53 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 70.42 110.822 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -68.66 -28.45 66.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.808 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -85.97 66.32 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 71.14 110.897 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.3 mt -53.22 103.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 74.13 111.134 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 69.0 -77.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 55.45 111.087 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 57.6 39.82 27.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 72.24 110.854 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -111.08 176.75 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 74.44 110.929 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 tt -163.86 136.61 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 63.5 111.177 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 pt -135.56 171.66 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 74.22 111.127 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -165.62 175.69 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.834 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -173.41 169.02 4.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.926 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -125.99 177.52 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 73.53 111.1 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -139.9 137.01 34.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.924 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 p -117.0 141.38 48.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 74.12 111.115 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.7 t -96.92 -25.62 15.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.133 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.947 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.81 0.338 . . . . 73.22 111.056 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -93.54 -27.68 16.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 75.41 110.956 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.22 17.05 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 53.54 111.069 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.3 p -60.67 -170.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 43.11 110.906 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 m -108.93 87.14 4.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 71.25 111.202 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -167.39 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.695 2.263 . . . . 74.12 112.286 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.15 153.12 44.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.869 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.6 mt 66.12 29.28 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.986 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -135.21 136.98 42.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.901 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.02 143.7 47.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 72.33 110.853 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -134.11 22.51 3.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.836 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.3 t -56.28 -24.65 44.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 64.25 110.749 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -59.16 -42.73 91.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 72.14 110.829 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -165.38 123.94 1.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.86 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -33.91 35.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.876 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -99.59 35.65 1.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 74.45 110.885 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 t -100.44 -29.48 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.829 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 61.2 m -51.59 149.87 4.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 71.45 110.893 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.9 m -57.46 -176.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.859 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -129.31 -39.52 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 72.14 110.877 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.98 164.81 0.51 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.752 -0.737 . . . . 70.04 112.438 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -86.44 -17.75 33.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 74.32 110.881 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.1 mmt -89.95 -72.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.87 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -139.8 155.85 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 70.04 110.872 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -96.34 134.05 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 75.33 110.885 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -73.69 145.04 45.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.927 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.6 m -106.48 135.22 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 74.33 111.122 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 3.1 m -72.51 108.96 5.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 74.5 110.931 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.15 139.01 43.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.86 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.6 m -114.41 139.69 49.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.913 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -145.5 -170.92 3.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 64.44 110.857 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -132.04 153.04 81.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.687 0.756 . . . . 70.02 110.868 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.75 -4.15 13.43 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.657 2.238 . . . . 72.22 112.376 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 66.35 27.57 10.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 60.11 110.889 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -152.83 -57.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 75.12 112.441 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -100.32 96.65 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 74.34 110.866 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.89 54.44 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.13 110.863 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -114.79 -28.35 7.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 71.11 110.933 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.4 t -146.12 144.65 30.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 73.54 111.224 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -100.47 131.45 46.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 72.24 110.834 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 t -86.32 116.71 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 72.44 111.11 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 76.6 m -111.21 113.81 26.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 73.22 110.975 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.8 p -129.82 167.78 17.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 73.25 110.87 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.9 m -80.78 123.99 28.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 71.34 110.854 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -129.14 163.22 25.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.941 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.492 ' C ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -85.5 159.62 55.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 65.1 110.862 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 34.99 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 73.41 112.332 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.492 ' H ' ' C ' ' A' ' 46' ' ' GLN . 5.9 mttp 52.03 67.37 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 72.13 110.892 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 m -110.83 151.05 28.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 70.42 110.858 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -174.51 -43.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.936 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -169.25 57.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 71.14 110.918 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.8 mm -115.79 -15.53 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 74.13 111.154 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.68 -67.68 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 55.45 111.095 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 52.98 82.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.871 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.33 145.14 31.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 74.44 110.912 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.0 tp -84.92 -30.02 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 63.5 111.186 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.2 mm -80.05 89.91 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 74.22 111.156 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -115.39 40.23 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.88 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.32 94.89 4.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.918 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -175.79 67.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.4 . . . . 73.53 111.085 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 137.1 45.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.876 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 t -134.44 124.52 25.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.076 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.13 179.94 7.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 72.34 111.178 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 74.24 110.898 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.893 0.378 . . . . 73.22 111.101 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -116.51 -33.65 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 75.41 110.951 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.36 17.26 4.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 53.54 111.103 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.7 p -66.66 -170.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 43.11 110.849 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.3 m -108.86 86.65 3.92 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.586 0.708 . . . . 71.25 111.176 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -166.59 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.659 2.24 . . . . 74.12 112.329 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.91 156.69 36.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 74.42 110.919 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.1 mt 63.61 30.72 14.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.945 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -135.05 139.1 44.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.904 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -53.74 147.21 12.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 72.33 110.849 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.3 p -140.23 23.51 2.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.902 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.2 t -57.79 -34.03 69.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 64.25 110.863 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -59.29 -42.92 92.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 72.14 110.841 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -165.2 122.33 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.836 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -22.11 66.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.892 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -99.55 5.59 46.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.816 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.0 t -79.49 -24.15 42.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 72.33 110.867 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.4 m -51.48 153.58 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 71.45 110.826 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.7 m -57.87 -174.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 74.11 110.857 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -129.58 -46.57 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 72.14 110.874 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.6 163.09 0.33 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 70.04 112.484 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.41 -12.17 49.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 74.32 110.892 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.9 mtp -89.66 -72.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.891 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -144.34 154.56 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 70.04 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -92.18 136.55 33.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 75.33 110.862 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -79.91 140.5 36.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 74.22 110.959 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.11 138.36 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 74.33 111.144 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -70.65 124.0 23.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 74.5 110.906 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.1 135.58 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.878 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.7 m -106.41 140.65 38.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.875 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -145.49 170.43 16.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 64.44 110.855 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -110.31 81.99 2.5 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.65 0.738 . . . . 70.02 110.997 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.62 70.73 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.277 . . . . 72.22 112.407 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 64.51 28.38 13.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 60.11 110.878 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -153.45 52.24 0.47 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 75.12 112.461 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -75.49 -22.56 57.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 74.34 110.949 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.69 -11.84 33.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 75.13 110.899 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -99.99 -71.48 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 71.11 110.872 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -159.99 155.46 25.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 73.54 111.169 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -95.91 141.53 29.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.915 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.2 t -104.16 125.1 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 72.44 111.109 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.0 m -111.18 115.88 30.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.897 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.0 p -128.95 170.7 13.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.824 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 74.6 m -80.66 119.9 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 71.34 110.809 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -123.2 150.21 43.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 72.45 110.921 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.497 ' C ' ' H ' ' A' ' 48' ' ' LYS . 5.2 pt20 -99.16 154.71 37.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.526 0.679 . . . . 65.1 110.961 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 35.07 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 73.41 112.344 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' H ' ' C ' ' A' ' 46' ' ' GLN . 16.9 tttm -61.83 111.18 1.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.91 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.31 -179.2 3.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 70.42 110.883 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -59.12 -25.61 64.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 74.44 110.824 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tttm 63.23 99.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 71.14 110.839 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.5 pt -70.62 154.68 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.13 111.107 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.34 98.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.502 . . . . 55.45 111.107 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -115.52 94.53 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.878 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -62.65 172.36 1.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.941 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 tt -125.79 139.2 52.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 63.5 111.204 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 tt -86.28 -28.42 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.22 111.147 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 62.66 166.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.885 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -97.22 162.84 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 73.11 110.926 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.67 117.52 16.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.53 111.119 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -176.57 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 74.13 110.868 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.85 134.55 19.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 74.12 111.118 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.9 m -60.04 -56.58 19.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 72.34 111.196 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.938 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.82 0.343 . . . . 73.22 111.154 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -88.57 142.99 27.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 75.41 110.845 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.96 160.4 14.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 53.54 111.161 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -96.04 -170.43 2.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 43.11 110.84 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.5 m -108.98 86.14 3.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 71.25 111.215 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -166.67 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.678 2.252 . . . . 74.12 112.374 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.55 155.19 39.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.931 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.0 mt 64.8 31.16 11.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 72.32 110.916 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -135.12 139.16 44.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 73.35 110.88 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.96 146.73 10.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 72.33 110.851 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.3 p -140.28 26.86 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.856 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 p -71.73 -24.31 61.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 64.25 110.831 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -62.97 -46.4 87.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 72.14 110.874 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -162.51 119.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.838 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -57.31 -23.63 49.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.853 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -99.48 25.71 6.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.801 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.5 t -100.34 -29.33 12.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 72.33 110.887 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.5 m -51.68 143.36 12.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 71.45 110.923 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.1 m -52.02 170.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 74.11 110.94 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -131.38 169.47 15.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 72.14 110.877 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.02 -172.43 16.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.695 -0.764 . . . . 70.04 112.457 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -94.6 -25.3 16.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 74.32 110.857 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.8 mtm -90.2 -66.78 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 74.21 110.877 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -143.47 151.4 40.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 70.04 110.893 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -94.16 151.56 19.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 75.33 110.854 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -69.64 142.68 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.903 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -111.86 138.15 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.33 111.095 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.11 131.02 43.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.5 110.881 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.39 121.5 27.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 74.24 110.887 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 63.5 m -99.46 142.44 30.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.882 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -146.09 159.48 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 64.44 110.895 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.487 ' C ' ' H ' ' A' ' 34' ' ' GLU . 3.9 m-85 -112.11 85.41 6.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 70.02 110.967 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 37.0 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 72.22 112.399 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 32' ' ' TYR . 30.0 mm-40 46.64 29.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 60.11 110.925 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.78 2.86 2.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 75.12 112.516 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -101.43 94.95 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.363 . . . . 74.34 110.87 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -96.79 11.23 36.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.865 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.83 -43.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.11 110.929 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.2 t -160.83 134.59 6.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 73.54 111.163 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.22 156.03 7.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.428 . . . . 72.24 110.913 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.9 t -86.14 114.86 26.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 72.44 111.133 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.0 m -107.22 115.25 29.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 73.22 110.848 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.6 p -124.48 169.33 11.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.838 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.32 120.32 24.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 71.34 110.925 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -127.7 152.32 47.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 72.45 110.848 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -101.48 156.66 34.9 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 65.1 110.892 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -170.81 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.235 . . . . 73.41 112.384 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.56 -178.36 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 72.13 110.841 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 t -62.61 -177.89 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 70.42 110.92 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -125.14 89.66 3.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.876 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.46 97.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.924 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.6 pt -109.44 -15.41 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 74.13 111.09 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -160.63 123.0 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 55.45 111.131 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -172.42 96.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.925 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 145.3 50.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.911 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.3 tt -79.39 148.02 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 63.5 111.116 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.2 mp -123.25 -51.56 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 74.22 111.155 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -68.32 161.19 27.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 75.13 110.894 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.86 106.14 15.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 73.11 110.919 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.18 163.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 73.53 111.128 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -92.72 151.81 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.831 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.65 153.29 22.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.166 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.63 123.72 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 72.34 111.18 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 74.24 110.898 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.927 0.394 . . . . 73.22 111.132 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -68.7 134.23 49.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 75.41 110.875 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.61 18.8 3.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 53.54 111.073 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.8 p -78.71 -168.44 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 43.11 110.915 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.0 m -131.39 90.09 38.92 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.575 0.702 . . . . 71.25 111.183 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -165.53 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.703 2.268 . . . . 74.12 112.346 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.77 152.8 44.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.86 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.7 mt 65.02 32.25 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 72.32 110.967 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -135.28 141.0 45.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.901 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -51.72 132.91 31.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.852 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 p -118.26 12.99 13.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.91 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 p -60.2 -20.45 58.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 64.25 110.831 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -69.82 -50.56 41.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 72.14 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.19 121.84 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 73.23 110.865 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -24.2 67.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.881 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -99.23 5.54 46.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.84 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -90.05 -25.66 20.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 72.33 110.857 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.1 m -52.19 142.48 16.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 71.45 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.4 m -50.66 168.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 74.11 110.895 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -129.89 149.64 51.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 72.14 110.914 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.52 -159.29 18.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 70.04 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -98.54 -25.48 14.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 74.32 110.872 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.0 mtm -92.07 -70.52 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.883 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -136.67 162.7 32.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 70.04 110.819 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -92.21 144.71 25.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 75.33 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -68.39 144.42 54.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.981 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -107.66 173.2 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.094 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.63 130.37 39.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 74.5 110.885 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.42 119.06 23.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.799 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.9 m -99.53 141.53 32.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 73.42 110.88 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -145.25 172.31 13.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 64.44 110.886 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -110.35 81.98 2.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 70.02 110.947 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 70.81 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 72.22 112.392 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 64.44 29.56 13.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 60.11 110.933 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.54 34.71 1.05 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.663 -0.78 . . . . 75.12 112.452 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.96 -21.46 61.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 74.34 110.858 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -98.78 -15.58 19.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.901 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -100.04 -71.6 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 71.11 110.926 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 t -157.75 159.98 37.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 73.54 111.218 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.97 157.32 17.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 72.24 110.914 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.1 t -119.65 129.74 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 72.44 111.159 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.1 m -112.08 124.17 51.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.22 110.9 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.9 p -130.28 173.09 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 73.25 110.894 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.4 m -80.73 123.15 27.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 71.34 110.918 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -131.93 157.64 43.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 72.45 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.499 ' C ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -82.27 159.61 64.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.544 0.688 . . . . 65.1 111.001 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 35.19 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 73.41 112.322 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 46' ' ' GLN . 15.6 ptmt -155.45 155.32 33.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 72.13 110.804 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.98 173.87 7.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 70.42 110.814 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -157.04 71.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.846 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -155.7 54.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 71.14 110.925 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 tt -116.21 -15.55 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.13 111.133 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -137.67 59.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 55.45 111.023 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.1 -27.95 15.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.881 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -139.82 159.1 42.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 74.44 110.906 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.3 pt -83.82 172.32 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 63.5 111.176 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 pp -97.02 160.28 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 74.22 111.114 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.22 -172.27 3.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.905 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -66.88 160.71 25.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 73.11 110.816 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -162.64 168.49 21.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 73.53 111.093 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.91 95.82 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.905 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.5 p -151.82 154.69 36.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 74.12 111.165 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.7 t -106.11 163.35 12.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 72.34 111.167 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.941 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.867 0.365 . . . . 73.22 111.115 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -76.13 -20.94 57.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.875 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.43 17.95 4.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 53.54 111.12 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.3 p -67.91 -170.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 43.11 110.811 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.5 m -109.0 87.62 4.82 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.566 0.698 . . . . 71.25 111.085 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -168.18 0.26 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.685 2.257 . . . . 74.12 112.291 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.04 159.8 27.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.918 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.5 mt 55.95 30.62 16.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 72.32 110.905 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -132.5 141.26 48.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 73.35 110.854 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -62.91 140.08 58.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.854 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.2 p -135.91 28.86 3.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.876 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.6 t -59.65 -26.83 65.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 64.25 110.881 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -62.89 -36.1 82.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 72.14 110.818 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.85 123.06 1.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 73.23 110.867 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -64.61 -17.14 63.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.843 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -107.44 3.75 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.853 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 t -74.5 -23.04 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.879 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 55.8 m -51.69 140.87 17.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 71.45 110.865 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.8 m -51.23 169.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.886 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -132.61 171.46 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 72.14 110.903 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.43 -170.77 15.9 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.697 -0.763 . . . . 70.04 112.456 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -97.92 -24.7 15.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.747 0.308 . . . . 74.32 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.2 mtm -90.32 -68.94 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.85 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -136.77 150.77 48.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 70.04 110.849 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -99.88 139.87 34.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 75.33 110.922 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -66.1 149.5 50.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.877 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.3 m -115.44 129.65 71.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.038 -0.528 . . . . 74.33 111.091 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 7.1 m -74.12 105.03 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.5 110.928 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.37 143.8 30.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 74.24 110.911 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 70.9 m -113.95 139.69 49.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.881 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -145.63 -173.45 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -116.03 150.86 45.83 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 70.02 110.955 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -4.66 14.5 Favored 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.729 2.286 . . . . 72.22 112.316 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 65.85 24.46 11.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 60.11 110.877 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.48 -55.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 75.12 112.492 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -100.63 98.26 8.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 74.34 110.901 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -84.92 53.69 2.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.897 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.8 -30.44 7.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 71.11 110.931 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 t -145.94 147.51 31.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 73.54 111.125 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -94.41 129.63 41.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 72.24 110.831 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.6 t -85.15 116.38 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 72.44 111.107 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.8 m -110.87 114.33 27.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.927 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.5 p -128.48 166.76 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 73.25 110.864 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.3 m -81.13 120.25 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 71.34 110.912 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -123.89 150.26 44.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 72.45 110.969 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.501 ' C ' ' H ' ' A' ' 48' ' ' LYS . 5.5 pt20 -100.38 155.68 36.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 65.1 110.873 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 35.05 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.739 2.293 . . . . 73.41 112.358 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -137.59 96.29 3.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.85 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.6 t -79.14 62.44 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 70.42 110.849 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.29 98.01 6.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.852 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -53.44 -75.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.924 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.2 mt 61.03 58.89 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 74.13 111.102 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -178.43 -65.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 55.45 111.094 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 52.22 59.71 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.903 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 132.5 54.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.939 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.0 tt -146.3 138.52 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 63.5 111.11 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.1 pt -132.02 -179.17 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 74.22 111.137 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.24 110.17 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 75.13 110.843 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 165.23 8.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.93 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.69 129.62 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 73.53 111.044 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -100.83 140.21 35.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.917 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.15 107.74 18.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 74.12 111.13 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.22 167.54 13.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 72.34 111.168 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.864 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.866 0.365 . . . . 73.22 111.06 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -101.42 18.89 18.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 75.41 110.921 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.64 128.8 34.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 53.54 111.078 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.4 p -97.78 -170.97 2.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 43.11 110.93 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.0 m -108.73 87.59 4.56 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.561 0.696 . . . . 71.25 111.135 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -167.75 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.708 2.272 . . . . 74.12 112.288 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.32 154.36 41.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.913 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.2 mt 63.93 29.91 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 72.32 110.981 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -134.63 139.24 45.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.35 110.837 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -60.51 142.05 55.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.847 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.8 p -139.66 28.18 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.88 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 p -62.08 -24.6 67.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 64.25 110.821 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -59.61 -39.66 84.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.884 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.21 120.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.855 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -54.37 -28.63 44.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.86 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.54 30.67 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 74.45 110.843 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 p -99.53 -26.29 14.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 72.33 110.841 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 62.0 m -53.74 149.62 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.868 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.7 m -58.49 -172.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 74.11 110.809 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -128.04 -6.75 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 72.14 110.846 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.4 172.89 0.39 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 70.04 112.526 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -73.93 -48.35 31.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 74.32 110.862 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.9 ttp -124.6 -36.18 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.852 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -100.22 128.8 46.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.429 . . . . 70.04 110.836 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.15 131.75 44.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 75.33 110.894 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -81.32 145.88 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 74.22 110.932 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 m -117.85 136.29 55.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.11 -0.495 . . . . 74.33 111.112 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 4.0 m -70.57 119.66 15.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.5 110.939 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.31 138.07 54.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.855 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.8 m -113.2 141.25 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 73.42 110.913 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -145.82 -170.8 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 64.44 110.878 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -124.41 143.97 44.58 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.631 0.729 . . . . 70.02 110.933 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 -2.94 11.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 72.22 112.398 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 68.91 30.62 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 60.11 110.864 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.26 168.2 24.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 75.12 112.543 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -99.98 -19.67 16.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.828 0.347 . . . . 74.34 110.897 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -94.2 19.27 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 75.13 110.881 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -140.42 175.93 9.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 71.11 110.953 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.29 172.74 9.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 73.54 111.146 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -56.77 158.69 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.913 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 t -133.83 119.75 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 72.44 111.102 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.6 m -105.09 110.95 23.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.884 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 p -129.95 165.55 21.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 73.25 110.842 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.2 m -80.55 123.12 27.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 71.34 110.883 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -125.76 151.28 46.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.904 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.492 ' C ' ' H ' ' A' ' 48' ' ' LYS . 4.5 pt20 -100.07 154.68 37.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 65.1 110.951 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 34.87 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.272 . . . . 73.41 112.334 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.492 ' H ' ' C ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -55.2 -42.6 73.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.996 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.1 p -95.64 47.94 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 70.42 110.86 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -173.05 99.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.877 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -108.19 -75.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 71.14 110.853 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.9 mt 51.74 68.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.13 111.143 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 56.89 71.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 55.45 111.11 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.0 109.71 22.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 72.24 110.877 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -88.67 158.07 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 74.44 110.851 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pp -121.84 179.37 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 63.5 111.12 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.9 tt -128.36 137.29 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.22 111.138 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -71.2 124.1 23.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 75.13 110.882 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.84 112.91 10.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.898 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.59 165.51 24.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.53 111.154 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.83 -172.68 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.853 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.6 t -116.93 160.32 21.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 74.12 111.093 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.2 p -105.2 168.97 8.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.227 -0.442 . . . . 72.34 111.159 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.24 110.952 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.799 0.333 . . . . 73.22 111.039 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -95.37 159.01 15.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 75.41 110.917 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.97 131.4 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 53.54 111.098 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p -75.65 -171.39 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 43.11 110.878 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.6 m -109.01 86.05 3.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.567 0.698 . . . . 71.25 111.145 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -165.61 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 74.12 112.387 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.85 155.77 38.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.922 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mt 66.24 30.6 9.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 72.32 110.945 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -135.47 138.52 43.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 73.35 110.785 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -52.8 147.73 8.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 72.33 110.919 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 p -139.01 19.01 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 74.21 110.901 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.9 t -56.62 -26.95 57.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 64.25 110.838 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -65.87 -43.08 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 72.14 110.794 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.95 118.39 2.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.419 . . . . 73.23 110.823 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -61.51 -17.87 56.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.862 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -115.0 25.83 10.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 74.45 110.875 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.8 t -96.91 -22.14 17.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.87 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.0 m -52.14 158.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 71.45 110.855 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.1 m -57.74 -174.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.868 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.49 -41.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.871 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.63 164.7 0.31 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.763 . . . . 70.04 112.458 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.19 -13.91 54.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 74.32 110.905 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.7 mtm -90.18 -72.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.835 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -147.87 155.02 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.924 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -88.76 138.1 31.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.9 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -77.53 142.89 38.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.898 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.0 m -109.8 139.66 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 74.33 111.155 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.18 121.73 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.5 110.927 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.93 130.45 52.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.867 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.6 m -106.4 137.02 45.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 73.42 110.808 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -145.24 170.55 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 64.44 110.882 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -110.46 82.23 2.7 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.668 0.747 . . . . 70.02 110.878 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 68.32 1.63 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.724 2.283 . . . . 72.22 112.33 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 48.31 30.79 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 60.11 110.901 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.83 79.77 1.65 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 75.12 112.514 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.4 -41.94 72.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 74.34 110.946 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -100.34 -10.45 21.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 75.13 110.929 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -99.86 -166.58 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 71.11 110.888 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.9 t -123.83 179.15 4.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 73.54 111.141 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -57.09 126.17 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.848 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.4 t -94.9 120.85 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 72.44 111.154 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.1 m -107.15 114.3 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.22 110.878 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 p -126.47 168.36 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 73.25 110.884 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 83.3 m -80.04 119.74 23.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 71.34 110.868 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -129.02 152.5 48.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.954 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.485 ' C ' ' H ' ' A' ' 48' ' ' LYS . 5.3 pt20 -101.12 156.6 34.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 65.1 110.931 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 35.08 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.747 2.298 . . . . 73.41 112.329 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 46' ' ' GLN . 16.5 mtpt 51.87 88.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 72.13 110.878 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 p -141.77 -172.41 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 70.42 110.913 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 72.26 -69.24 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.883 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.2 tttt -169.28 99.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 71.14 110.88 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.8 tp -177.56 121.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 74.13 111.167 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 68.9 -77.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 55.45 111.055 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -74.23 -42.15 60.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 72.24 110.918 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.22 25.34 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 74.44 110.833 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 tt -72.48 140.69 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 63.5 111.128 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.9 mt -83.11 95.52 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.22 111.155 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -98.21 61.66 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 75.13 110.831 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.35 112.83 26.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.89 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.18 152.31 32.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 73.53 111.137 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.89 111.3 16.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 74.13 110.876 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.6 t -71.42 151.92 43.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 74.12 111.116 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.0 t -125.24 121.65 34.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 72.34 111.082 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.969 179.855 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.865 0.364 . . . . 43.11 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.444 HG22 ' SG ' ' A' ' 44' ' ' CYS . 30.3 m -109.14 86.22 3.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 71.25 111.124 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -169.23 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.7 2.267 . . . . 74.12 112.346 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.641 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -67.34 154.69 40.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.932 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.641 ' HG ' HD23 ' A' ' 7' ' ' LEU . 25.6 mt 62.57 29.44 16.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.959 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -133.66 140.36 47.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.82 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.58 140.07 57.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.876 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.7 p -132.19 26.79 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 64.51 110.924 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.3 t -60.59 -27.54 67.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 61.22 110.867 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -60.84 -34.73 75.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 55.13 110.821 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.98 121.25 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.86 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -60.97 -18.31 56.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.21 110.896 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -116.41 26.97 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 74.45 110.821 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -94.66 -20.16 19.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 52.44 110.827 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.2 m -51.28 143.63 10.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.838 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.8 m -51.39 169.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.898 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -130.8 158.05 41.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.87 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.94 -174.17 13.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.786 -0.721 . . . . 61.44 112.56 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -88.24 -36.4 16.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 51.53 110.871 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.6 mtm -90.15 -72.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.901 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -127.61 148.97 50.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 70.04 110.913 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 171.02 8.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 73.14 110.863 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -87.73 139.39 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 64.3 110.883 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -109.78 132.45 57.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 74.2 111.116 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 m -70.49 128.89 37.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.9 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.71 131.86 46.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.02 110.881 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 64.7 m -104.6 140.9 37.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.865 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -145.54 170.12 17.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 64.44 110.847 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.716 0.769 . . . . 70.02 110.898 -179.832 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.861 0.362 . . . . 72.24 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 82.8 t -106.32 127.96 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.44 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.0 m -112.25 113.35 25.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.849 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.4 p -123.93 167.8 13.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.9 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.444 ' SG ' HG22 ' A' ' 5' ' ' THR . 69.1 m -80.61 124.52 29.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.889 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -124.7 150.46 46.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.45 110.95 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.568 ' N ' HD11 ' A' ' 7' ' ' LEU . 17.4 pt20 -100.02 154.62 37.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 45.04 110.897 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.65 2.233 . . . . 70.04 112.368 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.946 0.403 . . . . 43.11 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.17 86.44 4.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.601 0.715 . . . . 71.25 111.126 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -169.27 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.765 2.31 . . . . 74.12 112.33 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.632 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -68.08 152.32 45.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.924 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.632 ' HG ' HD23 ' A' ' 7' ' ' LEU . 16.0 mt 64.23 29.72 13.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.917 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -132.6 140.82 48.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 73.35 110.852 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.3 129.59 40.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.888 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -123.23 25.6 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 64.51 110.894 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.2 t -53.22 -28.33 26.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 61.22 110.913 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -59.6 -35.84 75.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 55.13 110.85 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.27 120.22 1.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.892 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -61.04 -18.21 56.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 74.21 110.923 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -116.09 27.1 9.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 74.45 110.854 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -97.18 -17.4 19.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 52.44 110.865 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 67.2 m -51.41 144.61 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 71.45 110.851 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.4 m -51.05 168.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.905 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 ptt85 -134.88 166.0 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 71.24 110.876 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.12 -166.56 11.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 61.44 112.463 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -78.19 -30.33 48.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 51.53 110.818 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 44.1 mtm -92.4 -72.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.868 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -144.24 159.14 43.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 70.04 110.85 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -95.41 157.89 15.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 73.14 110.885 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.79 161.25 15.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 64.3 110.872 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 m -111.3 129.4 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 74.2 111.126 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 3.1 m -75.5 107.04 7.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.847 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.22 142.95 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.02 110.88 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.2 m -116.31 139.5 50.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -145.58 -172.87 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 64.44 110.877 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.687 0.756 . . . . 70.02 110.921 -179.854 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.943 0.401 . . . . 72.24 110.846 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.5 t -82.26 115.5 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 72.44 111.126 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.81 112.74 24.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 73.22 110.865 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.8 p -129.25 165.98 20.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 73.25 110.879 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.8 m -80.54 124.57 29.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 71.34 110.903 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -126.97 162.36 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 72.45 110.877 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.405 ' OE1' HD13 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -86.22 159.27 54.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 45.04 110.9 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.266 . . . . 70.04 112.332 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.916 0.389 . . . . 43.11 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 9' ' ' HIS . 28.3 m -109.12 86.77 4.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.712 . . . . 71.25 111.184 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -167.04 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.712 2.274 . . . . 74.12 112.371 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.735 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -68.28 152.98 44.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.937 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.735 ' HG ' HD23 ' A' ' 7' ' ' LEU . 18.9 mt 64.25 29.63 13.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.464 . . . . 72.32 110.919 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.505 ' HB3' HG23 ' A' ' 5' ' ' THR . 0.8 OUTLIER -132.47 138.91 47.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 73.35 110.816 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.95 136.66 58.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.818 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -127.37 18.18 6.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 64.51 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.1 t -54.37 -34.42 61.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 61.22 110.864 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -59.7 -34.02 72.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 55.13 110.851 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -164.2 118.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.865 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -66.29 -13.6 60.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.912 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -111.64 4.91 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.874 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.84 -21.21 51.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 52.44 110.875 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 35.1 m -51.95 139.76 21.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 71.45 110.821 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.3 m -51.16 169.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.921 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.03 160.12 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.861 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.22 -170.23 13.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.808 -0.711 . . . . 61.44 112.481 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -84.67 -37.54 20.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 51.53 110.868 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.6 mtt -89.99 -68.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.21 110.929 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -134.63 158.12 44.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 70.04 110.854 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.47 151.62 20.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.967 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -61.24 156.7 17.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 64.3 110.903 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 m -113.73 130.22 68.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.2 111.156 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 1.7 m -72.0 112.74 8.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.896 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.8 144.75 37.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.102 -0.499 . . . . 73.02 110.893 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.7 m -115.9 140.17 49.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.872 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -145.69 -177.25 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 64.44 110.867 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.726 0.774 . . . . 70.02 110.904 -179.858 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.896 0.379 . . . . 72.24 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 t -83.06 118.23 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.44 111.119 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.1 m -112.56 112.07 23.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 73.22 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 p -128.2 171.0 12.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.816 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.413 ' SG ' HG22 ' A' ' 5' ' ' THR . 57.8 m -80.95 125.12 29.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 71.34 110.877 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -129.33 162.36 28.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.897 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.422 ' OE1' HD13 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -85.47 159.55 55.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.559 0.695 . . . . 45.04 110.861 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.622 2.215 . . . . 70.04 112.355 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.937 0.399 . . . . 43.11 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.569 HG23 ' HB3' ' A' ' 9' ' ' HIS . 31.1 m -109.04 87.23 4.51 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.611 0.72 . . . . 71.25 111.137 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -165.83 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.72 2.28 . . . . 74.12 112.306 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.722 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -67.08 154.38 41.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 74.42 110.869 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.722 ' HG ' HD23 ' A' ' 7' ' ' LEU . 9.8 mt 66.25 31.34 8.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 72.32 110.985 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.569 ' HB3' HG23 ' A' ' 5' ' ' THR . 22.7 m80 -135.81 135.04 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.803 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.444 ' O ' HG21 ' A' ' 5' ' ' THR . 11.7 m-20 -51.49 150.8 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 72.33 110.914 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -139.38 11.69 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 64.51 110.89 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.3 t -59.21 -27.84 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 61.22 110.85 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -66.18 -36.48 83.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 55.13 110.869 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -164.85 117.28 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -66.19 -13.11 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.878 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -111.25 19.59 18.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 74.45 110.858 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.17 -25.39 16.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 52.44 110.868 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.1 m -52.77 146.64 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 71.45 110.899 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.8 m -58.57 -172.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.944 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -129.04 -35.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 71.24 110.799 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.72 163.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 61.44 112.525 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -80.83 -11.88 59.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.833 0.349 . . . . 51.53 110.904 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.0 ttp -90.3 -76.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.845 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -150.45 147.7 27.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 70.04 110.909 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.82 154.41 18.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 73.14 110.889 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -90.7 145.01 25.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 64.3 110.937 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.83 138.56 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 74.2 111.154 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 m -70.43 134.23 47.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.919 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.43 119.97 23.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 73.02 110.851 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.4 m -100.63 134.31 43.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.945 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -145.23 170.2 16.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 64.44 110.866 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.685 0.755 . . . . 70.02 111.002 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.93 0.395 . . . . 72.24 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.9 t -94.71 120.76 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 72.44 111.155 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.2 m -108.37 119.2 38.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.897 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.9 p -128.15 169.38 14.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.876 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.8 m -80.78 121.44 25.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.893 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -128.91 156.38 43.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 72.45 110.942 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.45 HE21 HD13 ' A' ' 7' ' ' LEU . 3.4 mt-30 -100.06 160.53 26.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.722 . . . . 45.04 110.89 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 70.04 112.361 179.925 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.925 0.393 . . . . 43.11 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 9' ' ' HIS . 33.1 m -109.24 86.21 3.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.55 0.69 . . . . 71.25 111.085 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -167.37 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.725 2.283 . . . . 74.12 112.282 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.669 HD23 ' HG ' ' A' ' 8' ' ' LEU . 1.1 tp -67.23 155.28 39.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 74.42 110.931 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.669 ' HG ' HD23 ' A' ' 7' ' ' LEU . 14.4 mt 64.98 30.37 11.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 72.32 110.867 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.523 ' HB3' HG23 ' A' ' 5' ' ' THR . 6.1 m-70 -135.35 138.61 43.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.862 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.418 ' O ' HG21 ' A' ' 5' ' ' THR . 12.7 m-20 -51.38 139.02 20.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.893 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -126.77 -0.52 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 64.51 110.878 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -29.02 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 61.22 110.906 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -60.4 -36.64 78.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 55.13 110.842 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -164.7 118.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.906 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -63.5 -16.0 59.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.876 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -115.61 24.18 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.85 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.28 -26.05 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 52.44 110.93 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.5 m -52.64 142.94 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 71.45 110.947 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.3 m -51.71 169.75 0.06 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 74.11 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -132.64 171.1 14.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 71.24 110.893 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.26 -147.31 5.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 61.44 112.549 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -95.68 -35.78 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 51.53 110.819 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -93.23 -66.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.923 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -144.23 160.34 41.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 70.04 110.9 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -94.75 166.81 11.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.979 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -64.1 154.89 33.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 64.3 110.937 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.51 145.62 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.2 111.075 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 m -77.08 128.12 33.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.03 117.98 23.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.02 110.856 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.1 m -99.36 124.57 44.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.885 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -145.88 -178.55 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.93 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.697 0.76 . . . . 70.02 110.94 -179.847 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.9 0.381 . . . . 72.24 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.0 t -74.25 113.87 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 72.44 111.182 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.0 m -99.72 118.41 36.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.829 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.7 p -129.63 169.66 14.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.25 110.878 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 66.9 m -81.06 119.28 23.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.869 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -123.22 159.7 28.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 72.45 110.86 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.83 153.76 51.69 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.582 0.706 . . . . 45.04 110.95 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 70.04 112.327 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.918 0.39 . . . . 43.11 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.536 HG23 ' HB3' ' A' ' 9' ' ' HIS . 28.2 m -108.98 87.16 4.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.538 0.685 . . . . 71.25 111.167 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -167.04 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.634 2.223 . . . . 74.12 112.334 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.743 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -67.69 152.5 45.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.938 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.743 ' HG ' HD23 ' A' ' 7' ' ' LEU . 18.1 mt 64.11 31.31 13.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.94 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.536 ' HB3' HG23 ' A' ' 5' ' ' THR . 0.8 OUTLIER -134.22 138.21 44.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.868 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.22 139.0 53.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 72.33 110.867 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -128.36 18.65 6.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 64.51 110.867 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -60.36 -30.99 69.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 61.22 110.866 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -60.06 -33.05 71.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 55.13 110.844 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -164.6 117.87 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.888 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -17.63 55.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.877 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -115.75 26.98 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 74.45 110.827 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -96.29 -21.93 17.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 52.44 110.91 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.1 m -52.26 140.09 22.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 71.45 110.903 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.2 m -52.66 172.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.862 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -131.57 161.53 32.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.833 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.98 -173.89 13.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 61.44 112.484 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -98.95 -23.9 15.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.843 0.354 . . . . 51.53 110.881 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.7 ttt -89.99 -61.53 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 74.21 110.887 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -142.55 151.14 41.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 70.04 110.836 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -98.13 140.78 31.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 73.14 110.932 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -66.86 139.31 57.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 64.3 110.927 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.6 m -112.44 134.64 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.2 111.16 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.4 m -71.69 113.92 9.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.913 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -115.42 130.94 57.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 73.02 110.856 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 78.2 m -105.88 123.14 47.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.85 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -145.66 166.06 26.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 64.44 110.888 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.656 0.741 . . . . 70.02 110.942 -179.86 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.856 0.36 . . . . 72.24 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 t -90.77 112.8 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.135 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.7 m -99.88 108.18 20.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.847 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 p -127.0 170.29 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.786 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.438 ' SG ' HG22 ' A' ' 5' ' ' THR . 58.8 m -80.96 116.88 21.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 71.34 110.859 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -122.89 158.77 29.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.923 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -84.25 159.26 59.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.572 0.701 . . . . 45.04 110.879 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.166 0 C-N-CA 122.707 2.271 . . . . 70.04 112.304 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.868 0.366 . . . . 43.11 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.426 HG22 ' SG ' ' A' ' 44' ' ' CYS . 33.8 m -109.13 87.47 4.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.698 . . . . 71.25 111.127 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -169.12 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.702 2.268 . . . . 74.12 112.356 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.579 HD11 ' N ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -67.39 159.42 29.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.912 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.428 ' HG ' HD23 ' A' ' 7' ' ' LEU . 12.1 mt 56.44 28.65 13.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.32 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.12 141.84 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 73.35 110.865 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -61.35 138.23 58.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.831 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.4 p -134.7 26.85 3.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 64.51 110.967 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -63.8 -24.93 67.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 61.22 110.806 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -66.51 -30.74 71.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 55.13 110.913 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.17 120.19 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.857 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -65.35 -14.54 61.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.838 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -112.06 4.33 17.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.806 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -74.2 -21.46 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 52.44 110.913 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 35.0 m -52.24 139.57 23.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 71.45 110.868 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.6 m -51.91 166.04 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.506 . . . . 74.11 110.946 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 126.37 38.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 71.24 110.877 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.08 -148.66 6.09 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.744 -0.741 . . . . 61.44 112.491 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -100.03 -45.33 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 51.53 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 ttm -89.33 -61.56 1.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.862 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -131.97 154.0 49.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 70.04 110.883 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.39 159.37 15.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 73.14 110.942 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -67.49 156.19 37.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.304 -0.407 . . . . 64.3 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -114.59 133.04 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 74.2 111.179 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 7.9 m -73.96 119.7 18.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.809 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.08 141.76 51.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 73.02 110.801 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.9 m -112.87 130.97 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.853 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -146.21 177.47 8.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.862 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.73 0.776 . . . . 70.02 110.943 -179.819 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.941 0.401 . . . . 72.24 110.813 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.5 t -74.49 118.59 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 72.44 111.12 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.3 m -99.55 110.61 23.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.857 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 p -128.92 169.05 15.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 73.25 110.942 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.426 ' SG ' HG22 ' A' ' 5' ' ' THR . 77.3 m -80.64 122.74 27.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.899 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -124.17 149.37 46.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 72.45 110.933 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.579 ' N ' HD11 ' A' ' 7' ' ' LEU . 14.0 pt20 -100.13 155.86 35.94 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.599 0.714 . . . . 45.04 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 70.04 112.342 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.965 0.412 . . . . 43.11 110.821 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 9' ' ' HIS . 31.2 m -109.08 86.36 3.91 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.535 0.683 . . . . 71.25 111.17 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -166.26 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.662 2.241 . . . . 74.12 112.356 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.724 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -68.07 153.91 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.935 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.724 ' HG ' HD23 ' A' ' 7' ' ' LEU . 10.6 mt 65.5 32.48 9.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.92 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.523 ' HB3' HG23 ' A' ' 5' ' ' THR . 8.8 m-70 -135.21 136.12 41.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.35 110.913 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.95 146.72 8.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.875 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 p -140.35 18.68 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 64.51 110.837 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t -62.15 -42.97 99.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 61.22 110.862 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -59.46 -31.68 69.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 55.13 110.865 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.16 97.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.82 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptt85 -62.75 -19.23 63.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.861 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -99.81 18.6 17.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.889 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -100.42 -16.96 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 52.44 110.914 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.7 m -51.11 143.49 10.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 71.45 110.922 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.2 m -51.86 170.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.837 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -131.81 162.71 29.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 71.24 110.878 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.27 -170.68 12.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.755 . . . . 61.44 112.52 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.72 -30.32 16.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.755 0.312 . . . . 51.53 110.862 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.2 mtp -90.1 -67.83 0.82 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 74.21 110.835 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -139.81 149.38 43.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 70.04 110.962 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.45 148.85 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.913 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -67.55 134.49 51.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.205 -0.452 . . . . 64.3 110.963 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.6 m -107.43 144.05 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 74.2 111.077 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 t -73.34 112.91 9.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.856 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.06 136.78 52.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.859 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.0 m -108.85 142.23 39.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.877 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -145.41 169.83 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 64.44 110.838 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 121.692 0.758 . . . . 70.02 110.914 -179.869 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.941 0.4 . . . . 72.24 110.848 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.1 t -107.28 126.64 63.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 72.44 111.077 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.3 m -110.61 112.44 24.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.22 110.874 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 p -126.71 171.64 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.82 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.3 m -80.22 124.37 28.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 71.34 110.932 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -131.06 165.12 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.895 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.54 159.07 62.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 45.04 110.856 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 70.04 112.367 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 p . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.915 0.388 . . . . 43.11 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.576 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.3 m -121.08 87.99 44.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.658 0.742 . . . . 71.25 111.189 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.65 -167.78 0.24 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.732 2.288 . . . . 74.12 112.362 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.759 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -67.16 152.18 46.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.941 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.759 ' HG ' HD23 ' A' ' 7' ' ' LEU . 15.4 mt 64.31 30.76 13.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.418 . . . . 72.32 110.943 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.576 ' HB3' HG23 ' A' ' 5' ' ' THR . 3.0 m-70 -134.77 139.5 45.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.939 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -61.81 139.35 58.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.452 . . . . 72.33 110.816 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.5 p -134.88 28.04 3.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 64.51 110.854 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.5 p -61.81 -25.74 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 61.22 110.863 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -39.57 83.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 55.13 110.843 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.91 120.31 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.23 110.829 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -54.95 -27.83 46.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.836 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -101.45 28.89 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.45 110.845 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.5 t -99.37 -22.09 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 52.44 110.831 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 45.2 m -56.37 143.71 33.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.879 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -47.0 161.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 74.11 110.856 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -129.98 166.82 19.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 71.24 110.904 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 177.3 174.11 43.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 61.44 112.497 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -58.86 -69.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.833 0.349 . . . . 51.53 110.918 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.0 mtm -123.15 36.2 4.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.831 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -134.99 9.04 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 70.04 110.87 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -51.37 131.57 28.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 73.14 110.906 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -95.89 144.12 26.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 64.3 110.949 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -109.57 127.59 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 74.2 111.189 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 2.0 m -70.46 112.14 6.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -116.36 142.58 46.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 73.02 110.912 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.9 m -114.91 140.37 49.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.836 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -145.84 -174.77 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 64.44 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.645 0.736 . . . . 70.02 110.936 -179.863 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.929 0.395 . . . . 72.24 110.833 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.4 t -82.7 114.57 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 72.44 111.06 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.7 m -108.81 110.42 21.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.1 p -129.38 165.66 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.917 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.44 ' SG ' HG22 ' A' ' 5' ' ' THR . 60.9 m -80.56 121.51 25.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.34 110.906 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -122.16 169.58 10.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.885 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.65 159.23 49.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.599 0.714 . . . . 45.04 110.913 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 70.04 112.345 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.849 0.357 . . . . 43.11 110.902 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.558 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.9 m -109.08 87.3 4.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.614 0.721 . . . . 71.25 111.125 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -167.58 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.649 2.232 . . . . 74.12 112.366 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.727 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -67.19 153.93 42.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 74.42 110.944 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.727 ' HG ' HD23 ' A' ' 7' ' ' LEU . 16.7 mt 64.19 31.88 12.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 72.32 110.889 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.558 ' HB3' HG23 ' A' ' 5' ' ' THR . 3.7 m-70 -135.53 138.98 43.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.882 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.437 ' O ' HG21 ' A' ' 5' ' ' THR . 16.4 m-20 -56.0 143.2 33.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 72.33 110.864 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -137.77 25.41 2.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 64.51 110.904 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 t -70.67 -17.54 62.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 61.22 110.822 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -40.2 82.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 55.13 110.796 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -164.35 120.24 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 73.23 110.89 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -54.73 -28.11 45.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.803 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.86 29.89 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.881 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.0 p -100.2 -27.31 13.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 52.44 110.914 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.5 m -56.21 141.34 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.865 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.7 m -53.48 173.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.83 114.12 15.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 71.24 110.903 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.5 -150.42 2.68 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.69 -0.766 . . . . 61.44 112.509 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -99.96 -63.67 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.763 0.316 . . . . 51.53 110.809 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 ttt -104.95 -27.48 11.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -117.43 122.28 43.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 70.04 110.868 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -100.25 143.9 29.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.14 110.859 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -77.36 128.88 35.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 64.3 110.953 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 m -108.8 161.79 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 74.2 111.148 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.7 m -85.12 120.47 26.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.856 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.34 129.03 48.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 73.02 110.869 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.5 m -100.0 137.13 38.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.864 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -145.19 175.47 10.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 64.44 110.869 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.682 0.753 . . . . 70.02 110.885 -179.843 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.941 0.401 . . . . 72.24 110.868 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.6 t -102.39 124.55 56.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 72.44 111.121 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.2 m -102.03 111.1 23.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.888 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 p -124.89 174.01 8.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 73.25 110.869 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.446 ' SG ' HG22 ' A' ' 5' ' ' THR . 58.0 m -81.09 125.72 30.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 71.34 110.889 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -124.67 156.61 37.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.482 ' N ' HD11 ' A' ' 7' ' ' LEU . 13.2 mt-30 -106.92 85.59 1.99 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.616 0.722 . . . . 45.04 110.948 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 70.04 112.363 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.894 0.378 . . . . 43.11 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.456 HG22 ' SG ' ' A' ' 44' ' ' CYS . 28.9 m -108.96 86.35 3.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.69 . . . . 71.25 111.145 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -167.41 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.688 2.258 . . . . 74.12 112.374 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.603 HD11 ' N ' ' A' ' 46' ' ' GLN . 0.5 OUTLIER -68.25 157.11 36.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.421 . . . . 74.42 110.932 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.6 mt 63.55 28.44 15.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.129 -0.487 . . . . 72.32 110.935 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -134.05 138.51 45.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 73.35 110.796 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.33 145.56 21.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.883 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 p -140.03 22.14 2.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 64.51 110.894 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 t -54.1 -27.6 34.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 61.22 110.855 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -59.75 -46.32 89.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 55.13 110.872 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.11 118.86 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.849 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -56.12 -24.93 43.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.872 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -103.65 26.89 7.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.836 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.2 t -99.84 -23.35 14.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.996 0.427 . . . . 52.44 110.887 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.5 m -52.87 151.95 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 71.45 110.862 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.9 m -52.86 173.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.873 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -130.56 169.22 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 71.24 110.839 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.13 -175.22 19.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.675 -0.774 . . . . 61.44 112.44 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -88.83 -25.83 21.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 51.53 110.845 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.9 ttp -91.11 -66.46 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 74.21 110.866 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -143.7 154.73 43.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 70.04 110.874 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -99.63 139.25 35.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.861 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -58.17 142.46 47.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 64.3 110.96 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -109.3 135.11 49.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 74.2 111.176 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 t -73.88 104.63 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.945 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.38 142.4 32.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 73.02 110.859 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 71.2 m -116.01 138.67 51.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.889 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -145.45 -175.9 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 64.44 110.829 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 121.671 0.748 . . . . 70.02 110.904 -179.881 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.92 0.391 . . . . 72.24 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 t -82.73 118.8 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 72.44 111.157 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.3 m -111.51 114.77 28.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 73.22 110.939 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.6 p -130.16 170.1 14.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 73.25 110.848 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 5' ' ' THR . 80.7 m -80.12 124.71 29.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 71.34 110.956 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -130.66 150.18 51.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 72.45 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.603 ' N ' HD11 ' A' ' 7' ' ' LEU . 14.6 pt20 -100.49 155.63 36.15 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.537 0.684 . . . . 45.04 110.905 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.731 2.287 . . . . 70.04 112.336 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.913 0.387 . . . . 43.11 110.848 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 9' ' ' HIS . 28.4 m -108.94 86.88 4.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.594 0.711 . . . . 71.25 111.133 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -165.82 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.708 2.272 . . . . 74.12 112.298 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.732 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -67.71 153.05 44.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.849 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.732 ' HG ' HD23 ' A' ' 7' ' ' LEU . 9.9 mt 66.13 33.28 7.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 72.32 110.884 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.559 ' HB3' HG23 ' A' ' 5' ' ' THR . 13.7 m80 -135.62 138.35 42.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.86 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -51.05 141.61 13.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.835 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 p -130.44 12.17 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 64.51 110.908 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t -62.56 -22.34 66.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.452 . . . . 61.22 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -69.45 -42.04 75.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 55.13 110.849 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -165.22 122.01 1.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.903 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -22.01 66.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.923 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -99.31 5.6 46.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.896 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.8 t -81.37 -27.93 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 52.44 110.851 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.1 m -53.56 141.22 26.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 71.45 110.858 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.0 m -52.25 172.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.926 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.25 155.4 46.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 71.24 110.862 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.92 165.9 26.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 61.44 112.456 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -82.29 -17.13 46.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.815 0.34 . . . . 51.53 110.907 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.6 mtt -89.9 -65.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.856 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -141.04 151.59 44.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.879 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.58 140.21 29.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.893 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -72.81 128.18 34.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 64.3 110.901 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.9 m -108.02 164.95 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 74.2 111.164 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.4 125.65 35.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.905 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.33 125.24 34.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 73.02 110.893 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.1 m -99.96 138.81 36.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.853 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -145.2 176.5 9.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 64.44 110.877 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.716 0.769 . . . . 70.02 110.875 -179.849 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.841 0.353 . . . . 72.24 110.859 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -102.67 124.09 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 72.44 111.05 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.1 m -102.95 119.22 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 73.22 110.894 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.1 p -129.46 176.21 8.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 73.25 110.812 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.3 m -80.87 117.8 21.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 71.34 110.851 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -127.5 159.12 35.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 72.45 110.914 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -83.86 159.62 60.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.718 . . . . 45.04 110.908 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.273 . . . . 70.04 112.324 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.902 0.382 . . . . 43.11 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.8 m -109.15 86.68 4.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.555 0.693 . . . . 71.25 111.097 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -167.43 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.728 2.286 . . . . 74.12 112.377 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.733 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -67.34 154.33 41.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 74.42 110.921 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.733 ' HG ' HD23 ' A' ' 7' ' ' LEU . 12.8 mt 65.13 30.47 11.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.85 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.508 ' HB3' HG23 ' A' ' 5' ' ' THR . 6.2 m-70 -135.48 137.47 42.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 73.35 110.84 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.442 ' O ' HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -53.61 143.66 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.866 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.8 p -134.58 20.23 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 64.51 110.906 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -22.22 66.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 61.22 110.857 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -62.98 -41.71 99.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 55.13 110.858 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.13 121.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 73.23 110.838 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -53.42 -31.29 44.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.86 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -100.35 31.78 3.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.859 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.0 t -99.96 -25.29 14.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 52.44 110.886 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.1 m -58.17 143.17 45.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 71.45 110.894 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.0 m -51.73 170.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.854 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -132.27 158.56 41.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 71.24 110.895 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.33 -158.73 9.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.712 -0.756 . . . . 61.44 112.468 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -99.77 -29.48 12.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.708 0.29 . . . . 51.53 110.801 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.4 ttp -89.34 -63.39 1.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 74.21 110.883 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -146.89 156.13 42.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 70.04 110.95 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -95.91 147.98 23.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 73.14 110.916 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -59.41 146.58 39.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 64.3 110.949 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 m -106.38 143.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 74.2 111.146 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -81.58 108.14 14.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.894 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.66 123.09 45.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 73.02 110.885 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.0 m -101.49 138.7 38.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 73.42 110.835 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -145.7 -171.48 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.933 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.676 0.75 . . . . 70.02 110.905 -179.853 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.923 0.392 . . . . 72.24 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 t -96.05 117.14 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 72.44 111.117 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.5 m -113.11 121.24 43.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.883 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.8 p -129.99 170.45 13.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.901 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.449 ' SG ' HG22 ' A' ' 5' ' ' THR . 67.6 m -80.58 119.54 23.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.899 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -127.97 161.86 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 72.45 110.882 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.451 ' OE1' HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -83.62 159.43 61.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.517 0.675 . . . . 45.04 110.978 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.168 0 C-N-CA 122.713 2.275 . . . . 70.04 112.346 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.887 0.375 . . . . 43.11 110.906 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.561 HG23 ' HB3' ' A' ' 9' ' ' HIS . 28.7 m -108.93 87.14 4.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 71.25 111.202 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -167.39 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.695 2.263 . . . . 74.12 112.286 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.621 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -67.15 153.12 44.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.869 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.621 ' HG ' HD23 ' A' ' 7' ' ' LEU . 11.6 mt 66.12 29.28 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.986 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.561 ' HB3' HG23 ' A' ' 5' ' ' THR . 7.5 m-70 -135.21 136.98 42.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.901 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.428 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -59.02 143.7 47.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 72.33 110.853 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -134.11 22.51 3.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 64.51 110.836 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.3 t -56.28 -24.65 44.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 61.22 110.749 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -59.16 -42.73 91.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 55.13 110.829 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -165.38 123.94 1.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.86 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -33.91 35.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.876 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -99.59 35.65 1.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 74.45 110.885 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 t -100.44 -29.48 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 52.44 110.829 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 61.2 m -51.59 149.87 4.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 71.45 110.893 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.9 m -57.46 -176.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.859 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -129.31 -39.52 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 71.24 110.877 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.98 164.81 0.51 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.752 -0.737 . . . . 61.44 112.438 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -86.44 -17.75 33.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 51.53 110.881 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.1 mmt -89.95 -72.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.87 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -139.8 155.85 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 70.04 110.872 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -96.34 134.05 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 73.14 110.885 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -73.69 145.04 45.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 64.3 110.927 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.6 m -106.48 135.22 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 74.2 111.122 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 3.1 m -72.51 108.96 5.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 74.43 110.931 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.15 139.01 43.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 73.02 110.86 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.6 m -114.41 139.69 49.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.913 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -145.5 -170.92 3.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 64.44 110.857 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.687 0.756 . . . . 70.02 110.868 -179.844 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.929 0.395 . . . . 72.24 110.834 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 t -86.32 116.71 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 72.44 111.11 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 76.6 m -111.21 113.81 26.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 73.22 110.975 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.8 p -129.82 167.78 17.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 73.25 110.87 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.43 ' SG ' HG22 ' A' ' 5' ' ' THR . 68.9 m -80.78 123.99 28.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 71.34 110.854 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -129.14 163.22 25.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.941 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.468 ' OE1' HD13 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -85.5 159.62 55.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 45.04 110.862 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 70.04 112.332 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.958 0.409 . . . . 43.11 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.521 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.3 m -108.86 86.65 3.92 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.586 0.708 . . . . 71.25 111.176 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -166.59 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.659 2.24 . . . . 74.12 112.329 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.572 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -67.91 156.69 36.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 74.42 110.919 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.572 ' HG ' HD23 ' A' ' 7' ' ' LEU . 15.1 mt 63.61 30.72 14.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.945 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.521 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.4 m-70 -135.05 139.1 44.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.904 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.448 ' O ' HG21 ' A' ' 5' ' ' THR . 17.8 m-20 -53.74 147.21 12.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 72.33 110.849 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.3 p -140.23 23.51 2.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 64.51 110.902 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.2 t -57.79 -34.03 69.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 61.22 110.863 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -59.29 -42.92 92.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 55.13 110.841 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -165.2 122.33 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.836 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -22.11 66.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.892 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -99.55 5.59 46.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.816 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.0 t -79.49 -24.15 42.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 52.44 110.867 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.4 m -51.48 153.58 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 71.45 110.826 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.7 m -57.87 -174.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 74.11 110.857 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -129.58 -46.57 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 71.24 110.874 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.6 163.09 0.33 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 61.44 112.484 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.41 -12.17 49.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 51.53 110.892 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.9 mtp -89.66 -72.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.891 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -144.34 154.56 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 70.04 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -92.18 136.55 33.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.862 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -79.91 140.5 36.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 64.3 110.959 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.11 138.36 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 74.2 111.144 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -70.65 124.0 23.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 74.43 110.906 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.1 135.58 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 73.02 110.878 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.7 m -106.41 140.65 38.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.875 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -145.49 170.43 16.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 64.44 110.855 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.65 0.738 . . . . 70.02 110.997 -179.902 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.869 0.366 . . . . 72.24 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.2 t -104.16 125.1 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 72.44 111.109 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.0 m -111.18 115.88 30.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.897 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.0 p -128.95 170.7 13.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.824 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.418 ' SG ' HG22 ' A' ' 5' ' ' THR . 74.6 m -80.66 119.9 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 71.34 110.809 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -123.2 150.21 43.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 72.45 110.921 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.558 ' N ' HD11 ' A' ' 7' ' ' LEU . 17.4 pt20 -99.16 154.71 37.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.526 0.679 . . . . 45.04 110.961 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 70.04 112.344 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.924 0.392 . . . . 43.11 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.547 HG23 ' HB3' ' A' ' 9' ' ' HIS . 31.5 m -108.98 86.14 3.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 71.25 111.215 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -166.67 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.678 2.252 . . . . 74.12 112.374 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.686 HD23 ' HG ' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -67.55 155.19 39.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.931 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.686 ' HG ' HD23 ' A' ' 7' ' ' LEU . 13.0 mt 64.8 31.16 11.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 72.32 110.916 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.547 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.7 m-70 -135.12 139.16 44.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 73.35 110.88 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.454 ' O ' HG21 ' A' ' 5' ' ' THR . 6.5 m-20 -52.96 146.73 10.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 72.33 110.851 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.3 p -140.28 26.86 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 64.51 110.856 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 p -71.73 -24.31 61.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 61.22 110.831 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -62.97 -46.4 87.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 55.13 110.874 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -162.51 119.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.838 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -57.31 -23.63 49.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.853 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -99.48 25.71 6.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.801 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.5 t -100.34 -29.33 12.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 52.44 110.887 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.5 m -51.68 143.36 12.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 71.45 110.923 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.1 m -52.02 170.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 74.11 110.94 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -131.38 169.47 15.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 71.24 110.877 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.02 -172.43 16.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.695 -0.764 . . . . 61.44 112.457 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -94.6 -25.3 16.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 51.53 110.857 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.8 mtm -90.2 -66.78 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 74.21 110.877 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -143.47 151.4 40.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 70.04 110.893 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -94.16 151.56 19.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 73.14 110.854 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -69.64 142.68 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 64.3 110.903 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -111.86 138.15 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.2 111.095 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.11 131.02 43.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.43 110.881 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.39 121.5 27.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 73.02 110.887 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 63.5 m -99.46 142.44 30.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.882 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -146.09 159.48 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 64.44 110.895 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 70.02 110.967 -179.9 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.932 0.396 . . . . 72.24 110.913 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.9 t -86.14 114.86 26.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 72.44 111.133 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.0 m -107.22 115.25 29.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 73.22 110.848 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.6 p -124.48 169.33 11.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.838 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.32 120.32 24.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 71.34 110.925 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -127.7 152.32 47.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 72.45 110.848 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -101.48 156.66 34.9 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 45.04 110.892 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.235 . . . . 70.04 112.384 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.8 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.895 0.378 . . . . 43.11 110.915 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.576 HG23 ' HB3' ' A' ' 9' ' ' HIS . 27.0 m -131.39 90.09 38.92 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.575 0.702 . . . . 71.25 111.183 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -165.53 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.703 2.268 . . . . 74.12 112.346 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.739 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -68.77 152.8 44.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.86 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.739 ' HG ' HD23 ' A' ' 7' ' ' LEU . 14.7 mt 65.02 32.25 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 72.32 110.967 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.576 ' HB3' HG23 ' A' ' 5' ' ' THR . 16.5 m80 -135.28 141.0 45.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.901 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.569 ' O ' HG21 ' A' ' 5' ' ' THR . 11.2 m-20 -51.72 132.91 31.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.852 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 p -118.26 12.99 13.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 64.51 110.91 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 p -60.2 -20.45 58.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 61.22 110.831 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -69.82 -50.56 41.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 55.13 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.19 121.84 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 73.23 110.865 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -24.2 67.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.881 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -99.23 5.54 46.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.84 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -90.05 -25.66 20.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 52.44 110.857 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.1 m -52.19 142.48 16.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 71.45 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.4 m -50.66 168.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 74.11 110.895 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -129.89 149.64 51.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 71.24 110.914 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.52 -159.29 18.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 61.44 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -98.54 -25.48 14.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 51.53 110.872 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.0 mtm -92.07 -70.52 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.883 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -136.67 162.7 32.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 70.04 110.819 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -92.21 144.71 25.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 73.14 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -68.39 144.42 54.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 64.3 110.981 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -107.66 173.2 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 74.2 111.094 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.63 130.37 39.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 74.43 110.885 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.42 119.06 23.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 73.02 110.799 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.9 m -99.53 141.53 32.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 73.42 110.88 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -145.25 172.31 13.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 64.44 110.886 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 70.02 110.947 -179.914 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.91 0.386 . . . . 72.24 110.914 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.1 t -119.65 129.74 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 72.44 111.159 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.1 m -112.08 124.17 51.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.22 110.9 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.9 p -130.28 173.09 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 73.25 110.894 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.427 ' SG ' HG22 ' A' ' 5' ' ' THR . 27.4 m -80.73 123.15 27.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 71.34 110.918 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -131.93 157.64 43.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 72.45 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.428 ' OE1' HD13 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -82.27 159.61 64.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.544 0.688 . . . . 45.04 111.001 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 70.04 112.322 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.935 0.398 . . . . 43.11 110.811 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.431 HG22 ' SG ' ' A' ' 44' ' ' CYS . 30.5 m -109.0 87.62 4.82 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.566 0.698 . . . . 71.25 111.085 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -168.18 0.26 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.685 2.257 . . . . 74.12 112.291 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.586 HD11 ' N ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -67.04 159.8 27.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.918 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.404 ' HG ' HD23 ' A' ' 7' ' ' LEU . 28.5 mt 55.95 30.62 16.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 72.32 110.905 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.5 141.26 48.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 73.35 110.854 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -62.91 140.08 58.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.854 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.2 p -135.91 28.86 3.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 64.51 110.876 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.6 t -59.65 -26.83 65.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 61.22 110.881 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -62.89 -36.1 82.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 55.13 110.818 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.85 123.06 1.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 73.23 110.867 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -64.61 -17.14 63.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.843 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -107.44 3.75 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.853 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 t -74.5 -23.04 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 52.44 110.879 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 55.8 m -51.69 140.87 17.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 71.45 110.865 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.8 m -51.23 169.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.886 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -132.61 171.46 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 71.24 110.903 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.43 -170.77 15.9 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.697 -0.763 . . . . 61.44 112.456 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -97.92 -24.7 15.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.747 0.308 . . . . 51.53 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.2 mtm -90.32 -68.94 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.85 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -136.77 150.77 48.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 70.04 110.849 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -99.88 139.87 34.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 73.14 110.922 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -66.1 149.5 50.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 64.3 110.877 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.3 m -115.44 129.65 71.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.038 -0.528 . . . . 74.2 111.091 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 7.1 m -74.12 105.03 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.928 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.37 143.8 30.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 73.02 110.911 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 70.9 m -113.95 139.69 49.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.881 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -145.63 -173.45 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 70.02 110.955 -179.84 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.918 0.39 . . . . 72.24 110.831 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.6 t -85.15 116.38 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 72.44 111.107 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.8 m -110.87 114.33 27.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.927 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.5 p -128.48 166.76 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 73.25 110.864 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.431 ' SG ' HG22 ' A' ' 5' ' ' THR . 61.3 m -81.13 120.25 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 71.34 110.912 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -123.89 150.26 44.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 72.45 110.969 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.586 ' N ' HD11 ' A' ' 7' ' ' LEU . 14.4 pt20 -100.38 155.68 36.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 45.04 110.873 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.142 0 C-N-CA 122.739 2.293 . . . . 70.04 112.358 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.857 0.36 . . . . 43.11 110.93 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.511 HG23 ' HB3' ' A' ' 9' ' ' HIS . 29.0 m -108.73 87.59 4.56 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.561 0.696 . . . . 71.25 111.135 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -167.75 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.708 2.272 . . . . 74.12 112.288 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.66 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -67.32 154.36 41.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.913 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.66 ' HG ' HD23 ' A' ' 7' ' ' LEU . 12.2 mt 63.93 29.91 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 72.32 110.981 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.511 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.0 m-70 -134.63 139.24 45.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.35 110.837 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -60.51 142.05 55.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.847 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.8 p -139.66 28.18 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 64.51 110.88 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 p -62.08 -24.6 67.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 61.22 110.821 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -59.61 -39.66 84.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 55.13 110.884 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.21 120.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.855 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -54.37 -28.63 44.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.86 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.54 30.67 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 74.45 110.843 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 p -99.53 -26.29 14.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 52.44 110.841 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 62.0 m -53.74 149.62 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.868 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.7 m -58.49 -172.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 74.11 110.809 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -128.04 -6.75 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.846 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.4 172.89 0.39 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 61.44 112.526 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -73.93 -48.35 31.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 51.53 110.862 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.9 ttp -124.6 -36.18 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.852 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -100.22 128.8 46.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.429 . . . . 70.04 110.836 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.15 131.75 44.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 73.14 110.894 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -81.32 145.88 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 64.3 110.932 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 m -117.85 136.29 55.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.11 -0.495 . . . . 74.2 111.112 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 4.0 m -70.57 119.66 15.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.939 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.31 138.07 54.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 73.02 110.855 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.8 m -113.2 141.25 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 73.42 110.913 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -145.82 -170.8 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 64.44 110.878 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.631 0.729 . . . . 70.02 110.933 -179.786 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.929 0.395 . . . . 72.24 110.913 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 t -133.83 119.75 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 72.44 111.102 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.6 m -105.09 110.95 23.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.884 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 p -129.95 165.55 21.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 73.25 110.842 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.43 ' SG ' HG22 ' A' ' 5' ' ' THR . 68.2 m -80.55 123.12 27.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 71.34 110.883 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -125.76 151.28 46.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.904 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.585 ' N ' HD11 ' A' ' 7' ' ' LEU . 17.0 pt20 -100.07 154.68 37.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 45.04 110.951 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.272 . . . . 70.04 112.334 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.938 0.399 . . . . 43.11 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.6 m -109.01 86.05 3.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.567 0.698 . . . . 71.25 111.145 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -165.61 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 74.12 112.387 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.692 HD23 ' HG ' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -67.85 155.77 38.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.922 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.692 ' HG ' HD23 ' A' ' 7' ' ' LEU . 10.1 mt 66.24 30.6 9.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 72.32 110.945 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.476 ' HB3' HG23 ' A' ' 5' ' ' THR . 23.6 m80 -135.47 138.52 43.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 73.35 110.785 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -52.8 147.73 8.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 72.33 110.919 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 p -139.01 19.01 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 64.51 110.901 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.9 t -56.62 -26.95 57.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 61.22 110.838 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -65.87 -43.08 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 55.13 110.794 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.95 118.39 2.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.419 . . . . 73.23 110.823 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -61.51 -17.87 56.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.862 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -115.0 25.83 10.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 74.45 110.875 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.8 t -96.91 -22.14 17.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 52.44 110.87 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.0 m -52.14 158.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 71.45 110.855 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.1 m -57.74 -174.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.868 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.49 -41.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 71.24 110.871 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.63 164.7 0.31 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.763 . . . . 61.44 112.458 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.19 -13.91 54.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 51.53 110.905 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.7 mtm -90.18 -72.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.835 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -147.87 155.02 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.924 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -88.76 138.1 31.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.9 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -77.53 142.89 38.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 64.3 110.898 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.0 m -109.8 139.66 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 74.2 111.155 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.18 121.73 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.927 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.93 130.45 52.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 73.02 110.867 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.6 m -106.4 137.02 45.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 73.42 110.808 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -145.24 170.55 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 64.44 110.882 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.668 0.747 . . . . 70.02 110.878 -179.836 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.855 0.359 . . . . 72.24 110.848 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.4 t -94.9 120.85 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 72.44 111.154 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.1 m -107.15 114.3 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.22 110.878 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 p -126.47 168.36 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 73.25 110.884 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.41 ' SG ' HG22 ' A' ' 5' ' ' THR . 83.3 m -80.04 119.74 23.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 71.34 110.868 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -129.02 152.5 48.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.954 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -101.12 156.6 34.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 45.04 110.931 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.747 2.298 . . . . 70.04 112.329 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.855 0.36 . . . . 73.22 111.092 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -78.06 -53.63 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.901 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.98 144.01 54.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 53.13 111.09 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -84.22 -170.42 3.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 43.11 110.899 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.444 HG22 ' SG ' ' A' ' 44' ' ' CYS . 30.3 m -109.14 86.22 3.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 71.25 111.124 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -169.23 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.7 2.267 . . . . 74.12 112.346 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.641 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -67.34 154.69 40.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.932 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.641 ' HG ' HD23 ' A' ' 7' ' ' LEU . 25.6 mt 62.57 29.44 16.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.959 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -133.66 140.36 47.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.82 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.58 140.07 57.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.876 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.7 p -132.19 26.79 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 64.51 110.924 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.3 t -60.59 -27.54 67.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 61.22 110.867 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -60.84 -34.73 75.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 55.13 110.821 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.98 121.25 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.86 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -60.97 -18.31 56.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.21 110.896 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -116.41 26.97 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 74.45 110.821 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -94.66 -20.16 19.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 52.44 110.827 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.2 m -51.28 143.63 10.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.838 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.8 m -51.39 169.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.898 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -130.8 158.05 41.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.87 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.94 -174.17 13.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.786 -0.721 . . . . 61.44 112.56 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -88.24 -36.4 16.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 51.53 110.871 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.6 mtm -90.15 -72.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.901 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -127.61 148.97 50.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 70.04 110.913 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 171.02 8.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 73.14 110.863 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -87.73 139.39 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 64.3 110.883 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -109.78 132.45 57.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 74.2 111.116 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 m -70.49 128.89 37.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.9 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.71 131.86 46.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.02 110.881 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 64.7 m -104.6 140.9 37.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.865 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -145.54 170.12 17.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 64.44 110.847 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -110.4 82.23 2.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.716 0.769 . . . . 70.02 110.898 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 70.29 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 63.12 112.385 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 63.84 26.31 14.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 60.11 110.912 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.54 34.18 1.62 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.752 . . . . 75.12 112.484 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -62.49 -20.44 64.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 74.34 110.876 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -95.21 -16.95 22.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.861 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -99.89 -68.44 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 71.11 110.93 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -160.12 162.99 34.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 73.54 111.152 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -106.16 145.73 31.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 72.24 110.912 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 82.8 t -106.32 127.96 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.44 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.0 m -112.25 113.35 25.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.849 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.4 p -123.93 167.8 13.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.9 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' SG ' HG22 ' A' ' 5' ' ' THR . 69.1 m -80.61 124.52 29.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.889 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -124.7 150.46 46.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.45 110.95 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.568 ' N ' HD11 ' A' ' 7' ' ' LEU . 17.4 pt20 -100.02 154.62 37.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 45.04 110.897 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -175.45 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.65 2.233 . . . . 70.04 112.368 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -156.08 178.33 10.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 62.52 110.94 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.29 22.02 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 63.41 110.861 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 52.05 48.07 23.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.87 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -159.94 97.47 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.9 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.0 mm -117.21 -15.62 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 74.13 111.136 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.58 100.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 55.45 111.04 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -128.15 29.18 5.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 72.24 110.915 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -149.35 88.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.942 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.8 pt -147.86 28.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 63.5 111.158 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mp -60.23 -39.25 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 64.52 111.093 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -91.52 166.64 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.862 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -92.28 170.17 10.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.892 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.91 116.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 73.53 111.095 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.8 55.83 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.903 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.4 t -157.97 140.63 14.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 55.23 111.127 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 m -56.14 118.42 4.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 72.34 111.135 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 73.05 110.889 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.708 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.838 0.352 . . . . 73.22 111.105 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -101.1 -44.24 5.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 75.41 110.924 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.37 17.2 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 53.13 111.039 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.708 ' HB3' ' HB3' ' A' ' 1' ' ' ALA . 27.4 p -72.76 -170.65 0.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 43.11 110.899 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.17 86.44 4.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.601 0.715 . . . . 71.25 111.126 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -169.27 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.765 2.31 . . . . 74.12 112.33 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.632 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -68.08 152.32 45.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.924 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.632 ' HG ' HD23 ' A' ' 7' ' ' LEU . 16.0 mt 64.23 29.72 13.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.917 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -132.6 140.82 48.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 73.35 110.852 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.3 129.59 40.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.888 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -123.23 25.6 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 64.51 110.894 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.2 t -53.22 -28.33 26.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 61.22 110.913 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -59.6 -35.84 75.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 55.13 110.85 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.27 120.22 1.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.892 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -61.04 -18.21 56.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 74.21 110.923 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -116.09 27.1 9.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 74.45 110.854 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -97.18 -17.4 19.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 52.44 110.865 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 67.2 m -51.41 144.61 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 71.45 110.851 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.4 m -51.05 168.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.905 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 ptt85 -134.88 166.0 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 71.24 110.876 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.12 -166.56 11.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 61.44 112.463 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -78.19 -30.33 48.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 51.53 110.818 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 44.1 mtm -92.4 -72.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.868 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -144.24 159.14 43.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 70.04 110.85 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -95.41 157.89 15.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 73.14 110.885 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.79 161.25 15.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 64.3 110.872 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 m -111.3 129.4 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 74.2 111.126 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 3.1 m -75.5 107.04 7.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.847 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.22 142.95 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.02 110.88 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.2 m -116.31 139.5 50.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -145.58 -172.87 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 64.44 110.877 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -121.4 151.9 57.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.687 0.756 . . . . 70.02 110.921 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.82 14.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 63.12 112.341 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 65.47 27.63 11.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 60.11 110.92 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.15 -55.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 75.12 112.533 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -100.35 97.73 8.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.874 0.369 . . . . 74.34 110.832 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -84.31 54.02 2.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 75.13 110.844 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.01 -20.74 10.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.853 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -155.05 144.77 21.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 73.54 111.122 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -96.49 128.76 43.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.846 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.5 t -82.26 115.5 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 72.44 111.126 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.81 112.74 24.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 73.22 110.865 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.8 p -129.25 165.98 20.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 73.25 110.879 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.8 m -80.54 124.57 29.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 71.34 110.903 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -126.97 162.36 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 72.45 110.877 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.405 ' OE1' HD13 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -86.22 159.27 54.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 45.04 110.9 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -175.44 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.266 . . . . 70.04 112.332 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -51.92 108.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 62.52 110.855 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.2 -171.17 3.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 63.41 110.921 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.73 -167.96 2.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 74.44 110.826 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.93 40.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.875 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.2 mt -118.92 124.88 73.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.182 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 57.44 39.56 27.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 55.45 111.13 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -118.73 25.17 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 72.24 110.909 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -118.0 155.72 29.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 74.44 110.867 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.0 pt -126.35 171.65 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 63.5 111.132 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -108.08 135.5 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 64.52 111.144 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.65 139.01 58.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 75.13 110.851 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -80.96 78.49 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 73.11 110.924 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.38 151.82 32.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 73.53 111.165 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -55.34 124.41 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 74.1 110.866 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.62 90.43 8.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 55.23 111.108 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.52 161.62 9.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 72.34 111.132 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.2 tt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.05 110.952 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.798 0.332 . . . . 73.22 111.078 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -127.96 158.65 37.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 75.41 110.898 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.97 149.69 35.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 53.13 111.082 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -96.74 -170.45 2.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 43.11 110.928 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 9' ' ' HIS . 28.3 m -109.12 86.77 4.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.712 . . . . 71.25 111.184 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -167.04 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.712 2.274 . . . . 74.12 112.371 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.735 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -68.28 152.98 44.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.937 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.735 ' HG ' HD23 ' A' ' 7' ' ' LEU . 18.9 mt 64.25 29.63 13.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.464 . . . . 72.32 110.919 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.505 ' HB3' HG23 ' A' ' 5' ' ' THR . 0.8 OUTLIER -132.47 138.91 47.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 73.35 110.816 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.95 136.66 58.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.818 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -127.37 18.18 6.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 64.51 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.1 t -54.37 -34.42 61.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 61.22 110.864 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -59.7 -34.02 72.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 55.13 110.851 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -164.2 118.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.865 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -66.29 -13.6 60.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.912 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -111.64 4.91 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.874 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.84 -21.21 51.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 52.44 110.875 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 35.1 m -51.95 139.76 21.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 71.45 110.821 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.3 m -51.16 169.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.921 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.03 160.12 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.861 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.22 -170.23 13.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.808 -0.711 . . . . 61.44 112.481 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -84.67 -37.54 20.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 51.53 110.868 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.6 mtt -89.99 -68.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.21 110.929 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -134.63 158.12 44.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 70.04 110.854 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.47 151.62 20.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.967 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -61.24 156.7 17.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 64.3 110.903 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 m -113.73 130.22 68.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.2 111.156 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 1.7 m -72.0 112.74 8.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.896 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.8 144.75 37.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.102 -0.499 . . . . 73.02 110.893 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.7 m -115.9 140.17 49.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.872 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -145.69 -177.25 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 64.44 110.867 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -135.07 150.85 74.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.726 0.774 . . . . 70.02 110.904 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -0.25 6.64 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.243 . . . . 63.12 112.352 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 71.12 30.21 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 60.11 110.892 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.67 -52.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 75.12 112.457 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -100.85 105.48 16.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 74.34 110.884 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -90.25 21.68 3.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -100.11 -15.23 18.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 71.11 110.934 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.4 m -145.85 130.65 18.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 73.54 111.113 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -106.6 129.31 54.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 72.24 110.89 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 t -83.06 118.23 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.44 111.119 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.1 m -112.56 112.07 23.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 73.22 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 p -128.2 171.0 12.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.816 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.413 ' SG ' HG22 ' A' ' 5' ' ' THR . 57.8 m -80.95 125.12 29.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 71.34 110.877 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -129.33 162.36 28.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.897 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.422 ' OE1' HD13 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -85.47 159.55 55.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.559 0.695 . . . . 45.04 110.861 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -175.48 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.622 2.215 . . . . 70.04 112.355 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.28 94.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 62.52 110.885 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 m -79.61 -170.46 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 63.41 110.86 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -53.96 -61.02 2.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 74.44 110.882 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.0 91.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.912 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 pt -116.82 -15.66 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 74.13 111.155 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -150.97 -67.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 55.45 111.091 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.82 39.24 17.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.858 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.4 mttm 52.09 45.99 27.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.918 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 56' ' ' ILE . 4.8 tt -69.84 121.62 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.418 . . . . 63.5 111.123 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.4 mm 51.76 81.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 64.52 111.13 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.1 150.79 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.848 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.16 150.3 48.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.892 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -153.73 155.1 35.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 73.53 111.059 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -116.28 172.5 7.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.917 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.14 145.73 50.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 55.23 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -79.67 -28.35 40.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 72.34 111.108 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.2 tt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.05 110.91 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.853 0.359 . . . . 73.22 111.135 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm 61.77 32.53 18.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 75.41 110.891 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.9 147.98 52.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 53.13 111.127 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p -91.3 -170.67 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 43.11 110.91 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.569 HG23 ' HB3' ' A' ' 9' ' ' HIS . 31.1 m -109.04 87.23 4.51 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.611 0.72 . . . . 71.25 111.137 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -165.83 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.72 2.28 . . . . 74.12 112.306 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.722 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -67.08 154.38 41.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 74.42 110.869 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.722 ' HG ' HD23 ' A' ' 7' ' ' LEU . 9.8 mt 66.25 31.34 8.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 72.32 110.985 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.569 ' HB3' HG23 ' A' ' 5' ' ' THR . 22.7 m80 -135.81 135.04 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.803 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.444 ' O ' HG21 ' A' ' 5' ' ' THR . 11.7 m-20 -51.49 150.8 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 72.33 110.914 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -139.38 11.69 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 64.51 110.89 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.3 t -59.21 -27.84 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 61.22 110.85 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -66.18 -36.48 83.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 55.13 110.869 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -164.85 117.28 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -66.19 -13.11 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.878 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -111.25 19.59 18.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 74.45 110.858 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.17 -25.39 16.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 52.44 110.868 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.1 m -52.77 146.64 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 71.45 110.899 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.8 m -58.57 -172.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.944 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -129.04 -35.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 71.24 110.799 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.72 163.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 61.44 112.525 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -80.83 -11.88 59.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.833 0.349 . . . . 51.53 110.904 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.0 ttp -90.3 -76.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.845 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -150.45 147.7 27.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 70.04 110.909 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.82 154.41 18.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 73.14 110.889 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -90.7 145.01 25.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 64.3 110.937 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.83 138.56 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 74.2 111.154 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 m -70.43 134.23 47.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.919 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.43 119.97 23.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 73.02 110.851 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.4 m -100.63 134.31 43.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.945 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -145.23 170.2 16.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 64.44 110.866 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -110.76 81.84 2.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.685 0.755 . . . . 70.02 111.002 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 67.45 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 63.12 112.306 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 50.17 30.29 4.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 60.11 110.935 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.75 87.11 1.15 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.749 -0.739 . . . . 75.12 112.514 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -77.52 -42.14 36.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 74.34 110.938 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -100.43 -10.8 20.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 75.13 110.864 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -99.88 -167.19 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 71.11 110.822 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.0 t -123.26 -179.24 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 73.54 111.138 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -56.97 125.89 24.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 72.24 110.902 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.9 t -94.71 120.76 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 72.44 111.155 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.2 m -108.37 119.2 38.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.897 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.9 p -128.15 169.38 14.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.876 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.8 m -80.78 121.44 25.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.893 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -128.91 156.38 43.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 72.45 110.942 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.45 HE21 HD13 ' A' ' 7' ' ' LEU . 3.4 mt-30 -100.06 160.53 26.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.722 . . . . 45.04 110.89 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -175.53 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 70.04 112.361 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.84 130.24 44.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 62.52 110.875 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.4 p -139.71 54.74 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 63.41 110.916 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -146.9 56.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 74.44 110.853 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.79 36.73 0.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.429 . . . . 71.14 110.881 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 tt -176.57 -34.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.13 111.081 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.75 100.23 12.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 55.45 111.145 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.66 26.78 0.33 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 72.24 110.862 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -115.71 175.8 5.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.815 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 68.3 mt 60.33 78.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 63.5 111.088 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.53 117.87 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 64.52 111.153 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -158.25 97.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.842 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.87 122.21 3.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 73.11 110.853 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -176.6 58.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 73.53 111.152 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -110.33 88.23 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.1 110.905 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.2 m -119.47 109.65 15.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 55.23 111.163 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 t -125.88 147.63 49.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.096 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.2 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 73.05 110.895 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.828 0.347 . . . . 73.22 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -89.3 -36.68 15.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 75.41 110.887 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.76 18.87 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 53.13 111.071 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -61.79 -170.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 43.11 110.893 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 9' ' ' HIS . 33.1 m -109.24 86.21 3.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.55 0.69 . . . . 71.25 111.085 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -167.37 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.725 2.283 . . . . 74.12 112.282 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.669 HD23 ' HG ' ' A' ' 8' ' ' LEU . 1.1 tp -67.23 155.28 39.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 74.42 110.931 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.669 ' HG ' HD23 ' A' ' 7' ' ' LEU . 14.4 mt 64.98 30.37 11.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 72.32 110.867 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.523 ' HB3' HG23 ' A' ' 5' ' ' THR . 6.1 m-70 -135.35 138.61 43.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.862 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.418 ' O ' HG21 ' A' ' 5' ' ' THR . 12.7 m-20 -51.38 139.02 20.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.893 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -126.77 -0.52 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 64.51 110.878 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -29.02 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 61.22 110.906 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -60.4 -36.64 78.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 55.13 110.842 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -164.7 118.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.906 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -63.5 -16.0 59.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.876 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -115.61 24.18 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.85 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.28 -26.05 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 52.44 110.93 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.5 m -52.64 142.94 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 71.45 110.947 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.3 m -51.71 169.75 0.06 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 74.11 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -132.64 171.1 14.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 71.24 110.893 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.26 -147.31 5.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 61.44 112.549 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -95.68 -35.78 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 51.53 110.819 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -93.23 -66.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.923 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -144.23 160.34 41.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 70.04 110.9 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -94.75 166.81 11.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.979 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -64.1 154.89 33.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 64.3 110.937 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.51 145.62 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.2 111.075 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 m -77.08 128.12 33.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.03 117.98 23.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.02 110.856 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.1 m -99.36 124.57 44.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.885 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -145.88 -178.55 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.93 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -111.93 78.85 2.4 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.697 0.76 . . . . 70.02 110.94 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.444 ' HG2' HG21 ' A' ' 41' ' ' VAL . 53.3 Cg_endo -69.73 66.37 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.653 2.235 . . . . 63.12 112.365 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 50.15 30.41 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 60.11 110.849 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.56 80.01 0.2 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 75.12 112.483 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -100.3 79.37 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.345 . . . . 74.34 110.848 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -90.13 -74.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.827 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.3 -70.88 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 71.11 110.867 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.2 t -125.27 174.78 7.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 73.54 111.189 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -66.88 140.04 57.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 72.24 110.911 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.444 HG21 ' HG2' ' A' ' 33' ' ' PRO . 36.0 t -74.25 113.87 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 72.44 111.182 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.0 m -99.72 118.41 36.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.829 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.7 p -129.63 169.66 14.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.25 110.878 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 66.9 m -81.06 119.28 23.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.869 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -123.22 159.7 28.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 72.45 110.86 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.83 153.76 51.69 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.582 0.706 . . . . 45.04 110.95 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -175.44 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 70.04 112.327 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -151.45 37.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 62.52 110.882 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.91 3.24 5.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 63.41 110.902 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -173.86 124.11 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 74.44 110.855 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -146.91 -75.46 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 71.14 110.917 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.0 tp -117.97 -26.8 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 74.13 111.17 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -178.37 -37.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 55.45 111.124 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 58.59 63.47 1.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.906 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -115.49 -24.77 8.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.882 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.7 mt 62.65 92.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 63.5 111.146 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 pt -66.42 -23.7 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 64.52 111.129 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.66 106.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.84 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.36 105.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.922 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.24 -175.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 73.53 111.13 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -118.12 158.22 25.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.424 . . . . 74.1 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.53 174.21 5.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 55.23 111.14 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.31 169.75 17.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 72.34 111.142 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 73.05 110.916 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.878 0.371 . . . . 73.22 111.085 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -173.14 163.66 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.881 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.32 170.51 5.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 53.13 111.168 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.1 p -93.27 -170.89 2.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 43.11 110.851 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.536 HG23 ' HB3' ' A' ' 9' ' ' HIS . 28.2 m -108.98 87.16 4.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.538 0.685 . . . . 71.25 111.167 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -167.04 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.634 2.223 . . . . 74.12 112.334 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.743 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -67.69 152.5 45.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.938 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.743 ' HG ' HD23 ' A' ' 7' ' ' LEU . 18.1 mt 64.11 31.31 13.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.94 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.536 ' HB3' HG23 ' A' ' 5' ' ' THR . 0.8 OUTLIER -134.22 138.21 44.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.868 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.22 139.0 53.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 72.33 110.867 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -128.36 18.65 6.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 64.51 110.867 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -60.36 -30.99 69.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 61.22 110.866 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -60.06 -33.05 71.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 55.13 110.844 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -164.6 117.87 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.888 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -17.63 55.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.877 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -115.75 26.98 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 74.45 110.827 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -96.29 -21.93 17.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 52.44 110.91 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.1 m -52.26 140.09 22.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 71.45 110.903 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.2 m -52.66 172.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.862 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -131.57 161.53 32.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.833 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.98 -173.89 13.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 61.44 112.484 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -98.95 -23.9 15.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.843 0.354 . . . . 51.53 110.881 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.7 ttt -89.99 -61.53 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 74.21 110.887 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -142.55 151.14 41.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 70.04 110.836 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -98.13 140.78 31.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 73.14 110.932 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -66.86 139.31 57.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 64.3 110.927 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.6 m -112.44 134.64 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.2 111.16 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.4 m -71.69 113.92 9.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.913 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -115.42 130.94 57.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 73.02 110.856 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 78.2 m -105.88 123.14 47.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.85 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -145.66 166.06 26.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 64.44 110.888 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -111.92 145.91 33.69 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.656 0.741 . . . . 70.02 110.942 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 63.33 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.642 2.228 . . . . 63.12 112.377 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 49.94 25.61 1.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 60.11 110.964 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.38 128.59 1.19 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.678 -0.772 . . . . 75.12 112.462 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -87.29 89.02 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 74.34 110.901 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -97.23 -50.09 4.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.899 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -111.7 -76.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 71.11 110.92 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.22 -172.51 4.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 73.54 111.176 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -83.05 134.29 35.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 72.24 110.912 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 t -90.77 112.8 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.135 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.7 m -99.88 108.18 20.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.847 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 p -127.0 170.29 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.786 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.438 ' SG ' HG22 ' A' ' 5' ' ' THR . 58.8 m -80.96 116.88 21.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 71.34 110.859 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -122.89 158.77 29.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.923 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -84.25 159.26 59.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.572 0.701 . . . . 45.04 110.879 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -175.46 1.16 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.707 2.271 . . . . 70.04 112.304 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.81 77.28 1.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 62.52 110.837 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.7 m -154.12 155.08 34.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.882 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -145.46 -167.65 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.34 91.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 71.14 110.91 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.447 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 9.5 tp -159.53 138.12 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 74.13 111.185 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 52' ' ' ILE . . . 69.05 -77.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 55.45 111.003 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 59.68 84.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 72.24 110.862 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -129.96 130.77 45.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.91 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pt -151.32 108.08 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 63.5 111.156 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mp -85.89 -50.07 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 64.52 111.145 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -142.95 135.19 27.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.871 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.23 85.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 73.11 110.831 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -169.12 166.21 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.53 111.136 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.22 161.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 74.1 110.898 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 t 179.23 74.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 55.23 111.174 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.7 t -136.46 132.03 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 72.34 111.134 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 73.05 110.956 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.827 0.346 . . . . 73.22 111.131 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -104.45 108.85 20.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.936 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.25 16.47 5.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 53.13 111.077 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.3 p -69.41 -170.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 43.11 110.978 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.426 HG22 ' SG ' ' A' ' 44' ' ' CYS . 33.8 m -109.13 87.47 4.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.698 . . . . 71.25 111.127 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -169.12 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.702 2.268 . . . . 74.12 112.356 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.579 HD11 ' N ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -67.39 159.42 29.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.912 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.428 ' HG ' HD23 ' A' ' 7' ' ' LEU . 12.1 mt 56.44 28.65 13.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.32 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.12 141.84 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 73.35 110.865 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -61.35 138.23 58.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.831 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.4 p -134.7 26.85 3.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 64.51 110.967 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -63.8 -24.93 67.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 61.22 110.806 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -66.51 -30.74 71.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 55.13 110.913 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.17 120.19 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.857 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -65.35 -14.54 61.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.838 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -112.06 4.33 17.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.806 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -74.2 -21.46 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 52.44 110.913 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 35.0 m -52.24 139.57 23.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 71.45 110.868 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.6 m -51.91 166.04 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.506 . . . . 74.11 110.946 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 126.37 38.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 71.24 110.877 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.08 -148.66 6.09 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.744 -0.741 . . . . 61.44 112.491 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -100.03 -45.33 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 51.53 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 ttm -89.33 -61.56 1.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.862 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -131.97 154.0 49.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 70.04 110.883 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.39 159.37 15.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 73.14 110.942 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -67.49 156.19 37.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.304 -0.407 . . . . 64.3 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -114.59 133.04 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 74.2 111.179 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 7.9 m -73.96 119.7 18.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.809 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.08 141.76 51.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 73.02 110.801 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.9 m -112.87 130.97 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.853 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -146.21 177.47 8.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.862 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -111.67 80.11 2.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.73 0.776 . . . . 70.02 110.943 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 65.19 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.615 2.21 . . . . 63.12 112.388 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 46.93 31.12 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 60.11 110.912 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.0 80.16 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 75.12 112.453 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -100.17 73.48 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 74.34 110.883 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -64.41 -73.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.842 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -112.41 -35.91 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 71.11 110.905 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.482 HG22 ' OE2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -159.34 167.22 29.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 73.54 111.209 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.482 ' OE2' HG22 ' A' ' 39' ' ' THR . 1.6 pm0 -57.28 141.17 47.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 72.24 110.813 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.5 t -74.49 118.59 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 72.44 111.12 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.3 m -99.55 110.61 23.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.857 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 p -128.92 169.05 15.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 73.25 110.942 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.426 ' SG ' HG22 ' A' ' 5' ' ' THR . 77.3 m -80.64 122.74 27.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.899 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -124.17 149.37 46.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 72.45 110.933 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.579 ' N ' HD11 ' A' ' 7' ' ' LEU . 14.0 pt20 -100.13 155.86 35.94 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.599 0.714 . . . . 45.04 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -175.26 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 70.04 112.342 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.43 175.54 7.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 62.52 110.885 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.1 m -142.54 140.41 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 63.41 110.863 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -120.69 32.38 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.837 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -141.98 26.61 1.86 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 71.14 110.836 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.2 pt -141.63 149.53 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 74.13 111.068 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 53.15 36.09 21.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 55.45 111.127 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.29 95.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 72.24 110.847 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -165.68 130.09 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 74.44 110.916 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.6 mt -76.48 123.08 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 63.5 111.084 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mt -88.17 129.38 39.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.12 -0.491 . . . . 64.52 111.131 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.44 144.34 57.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.895 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -57.18 -65.26 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 73.11 110.937 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.77 149.69 3.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 73.53 111.123 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.49 110.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.278 -0.419 . . . . 74.1 110.86 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.35 153.07 16.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 55.23 111.084 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.77 160.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 72.34 111.132 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 73.05 110.906 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.869 0.366 . . . . 73.22 111.106 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.65 101.07 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 75.41 110.885 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.36 16.62 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 53.13 111.095 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.9 p -66.47 -170.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 43.11 110.821 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 9' ' ' HIS . 31.2 m -109.08 86.36 3.91 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.535 0.683 . . . . 71.25 111.17 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -166.26 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.662 2.241 . . . . 74.12 112.356 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.724 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -68.07 153.91 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.935 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.724 ' HG ' HD23 ' A' ' 7' ' ' LEU . 10.6 mt 65.5 32.48 9.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.92 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.523 ' HB3' HG23 ' A' ' 5' ' ' THR . 8.8 m-70 -135.21 136.12 41.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.35 110.913 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.95 146.72 8.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.875 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 p -140.35 18.68 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 64.51 110.837 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t -62.15 -42.97 99.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 61.22 110.862 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -59.46 -31.68 69.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 55.13 110.865 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.16 97.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.82 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptt85 -62.75 -19.23 63.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.861 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -99.81 18.6 17.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.889 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -100.42 -16.96 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 52.44 110.914 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.7 m -51.11 143.49 10.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 71.45 110.922 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.2 m -51.86 170.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.837 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -131.81 162.71 29.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 71.24 110.878 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.27 -170.68 12.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.755 . . . . 61.44 112.52 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.72 -30.32 16.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.755 0.312 . . . . 51.53 110.862 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.2 mtp -90.1 -67.83 0.82 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 74.21 110.835 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -139.81 149.38 43.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 70.04 110.962 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.45 148.85 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.913 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -67.55 134.49 51.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.205 -0.452 . . . . 64.3 110.963 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.6 m -107.43 144.05 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 74.2 111.077 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 t -73.34 112.91 9.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.856 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.06 136.78 52.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.859 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.0 m -108.85 142.23 39.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.877 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -145.41 169.83 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 64.44 110.838 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -110.33 82.32 2.65 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.692 0.758 . . . . 70.02 110.914 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 70.38 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 63.12 112.327 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 63.65 27.81 14.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 60.11 110.928 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -143.65 32.69 1.82 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 75.12 112.461 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -59.89 -22.12 61.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 74.34 110.932 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -95.96 -15.61 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 75.13 110.857 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -99.92 -71.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 71.11 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.24 163.11 36.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 73.54 111.183 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -106.05 147.27 29.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.1 t -107.28 126.64 63.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 72.44 111.077 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.3 m -110.61 112.44 24.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.22 110.874 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 p -126.71 171.64 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.82 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.3 m -80.22 124.37 28.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 71.34 110.932 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -131.06 165.12 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.895 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.54 159.07 62.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 45.04 110.856 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -175.44 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 70.04 112.367 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -83.93 127.26 33.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 62.52 110.914 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.93 115.8 9.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 63.41 110.905 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -144.42 -69.98 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.891 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -171.24 -75.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.878 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.452 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 45.6 mm 52.01 84.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 74.13 111.095 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 52' ' ' ILE . . . 69.06 -77.16 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 55.45 111.099 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.4 95.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 72.24 110.845 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -107.18 -176.39 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.939 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.9 pt -122.38 167.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 63.5 111.157 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.6 mt 70.7 -70.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 64.52 111.13 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.35 -75.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.864 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.15 170.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.978 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -168.09 -46.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 73.53 111.105 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.97 -173.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.1 110.89 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.0 t -148.35 159.67 43.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 55.23 111.186 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.8 t -134.92 172.48 12.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.34 111.159 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 73.05 110.894 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.865 0.364 . . . . 73.22 111.105 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -99.58 160.33 14.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 75.41 110.864 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.86 132.55 54.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 53.13 111.117 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 p -90.54 -166.65 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 43.11 110.872 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.576 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.3 m -121.08 87.99 44.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.658 0.742 . . . . 71.25 111.189 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.65 -167.78 0.24 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.732 2.288 . . . . 74.12 112.362 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.759 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -67.16 152.18 46.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.941 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.759 ' HG ' HD23 ' A' ' 7' ' ' LEU . 15.4 mt 64.31 30.76 13.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.418 . . . . 72.32 110.943 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.576 ' HB3' HG23 ' A' ' 5' ' ' THR . 3.0 m-70 -134.77 139.5 45.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.939 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -61.81 139.35 58.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.452 . . . . 72.33 110.816 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.5 p -134.88 28.04 3.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 64.51 110.854 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.5 p -61.81 -25.74 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 61.22 110.863 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -39.57 83.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 55.13 110.843 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.91 120.31 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.23 110.829 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -54.95 -27.83 46.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.836 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -101.45 28.89 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.45 110.845 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.5 t -99.37 -22.09 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 52.44 110.831 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 45.2 m -56.37 143.71 33.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.879 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -47.0 161.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 74.11 110.856 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -129.98 166.82 19.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 71.24 110.904 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 177.3 174.11 43.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 61.44 112.497 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -58.86 -69.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.833 0.349 . . . . 51.53 110.918 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.0 mtm -123.15 36.2 4.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.831 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -134.99 9.04 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 70.04 110.87 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -51.37 131.57 28.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 73.14 110.906 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -95.89 144.12 26.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 64.3 110.949 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -109.57 127.59 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 74.2 111.189 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 2.0 m -70.46 112.14 6.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -116.36 142.58 46.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 73.02 110.912 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.9 m -114.91 140.37 49.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.836 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -145.84 -174.77 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 64.44 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -107.77 148.74 37.92 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.645 0.736 . . . . 70.02 110.936 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -6.37 18.42 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 63.12 112.297 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 65.42 29.97 11.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 60.11 110.912 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.2 -54.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.758 . . . . 75.12 112.419 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -100.37 96.55 7.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 74.34 110.85 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -83.6 53.62 2.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.484 . . . . 75.13 110.834 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -123.41 -8.48 8.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 71.11 110.94 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -160.56 151.64 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 73.54 111.214 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -103.38 127.73 50.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 72.24 110.833 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.4 t -82.7 114.57 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 72.44 111.06 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.7 m -108.81 110.42 21.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.1 p -129.38 165.66 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.917 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.44 ' SG ' HG22 ' A' ' 5' ' ' THR . 60.9 m -80.56 121.51 25.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.34 110.906 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -122.16 169.58 10.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.885 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.65 159.23 49.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.599 0.714 . . . . 45.04 110.913 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -175.44 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 70.04 112.345 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.19 -169.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 62.52 110.934 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.92 158.4 32.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 63.41 110.829 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -107.58 82.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 74.44 110.891 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.89 -75.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.14 110.896 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.0 177.44 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 74.13 111.128 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.22 95.88 6.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 55.45 111.162 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -130.32 59.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 72.24 110.906 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.01 176.07 8.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 74.44 110.863 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 tt -150.12 136.04 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 63.5 111.133 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 tt -150.65 143.76 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 64.52 111.175 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.79 162.81 38.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.9 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.47 138.04 3.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.908 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -136.38 123.41 21.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 73.53 111.123 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.16 88.63 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.1 110.934 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.2 t -84.45 136.41 33.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 55.23 111.14 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.2 p -134.58 178.36 7.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 72.34 111.112 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.05 110.931 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.86 0.362 . . . . 73.22 111.083 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -84.18 105.09 14.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.875 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.56 18.93 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 53.13 111.121 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -62.26 -170.31 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 43.11 110.902 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.558 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.9 m -109.08 87.3 4.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.614 0.721 . . . . 71.25 111.125 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -167.58 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.649 2.232 . . . . 74.12 112.366 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.727 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -67.19 153.93 42.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 74.42 110.944 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.727 ' HG ' HD23 ' A' ' 7' ' ' LEU . 16.7 mt 64.19 31.88 12.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 72.32 110.889 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.558 ' HB3' HG23 ' A' ' 5' ' ' THR . 3.7 m-70 -135.53 138.98 43.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.882 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.437 ' O ' HG21 ' A' ' 5' ' ' THR . 16.4 m-20 -56.0 143.2 33.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 72.33 110.864 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -137.77 25.41 2.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 64.51 110.904 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 t -70.67 -17.54 62.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 61.22 110.822 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -40.2 82.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 55.13 110.796 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -164.35 120.24 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 73.23 110.89 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -54.73 -28.11 45.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.803 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.86 29.89 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.881 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.0 p -100.2 -27.31 13.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 52.44 110.914 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.5 m -56.21 141.34 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.865 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.7 m -53.48 173.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.83 114.12 15.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 71.24 110.903 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.5 -150.42 2.68 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.69 -0.766 . . . . 61.44 112.509 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -99.96 -63.67 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.763 0.316 . . . . 51.53 110.809 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 ttt -104.95 -27.48 11.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -117.43 122.28 43.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 70.04 110.868 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -100.25 143.9 29.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.14 110.859 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -77.36 128.88 35.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 64.3 110.953 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 m -108.8 161.79 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 74.2 111.148 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.7 m -85.12 120.47 26.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.856 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.34 129.03 48.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 73.02 110.869 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.5 m -100.0 137.13 38.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.864 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -145.19 175.47 10.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 64.44 110.869 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -110.5 84.43 3.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.682 0.753 . . . . 70.02 110.885 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 72.46 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 63.12 112.335 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 65.01 31.23 11.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 60.11 110.873 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.37 125.03 17.16 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.766 -0.73 . . . . 75.12 112.553 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.54 -75.61 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 74.34 110.873 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.15 -68.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.825 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -140.22 112.51 7.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 71.11 110.826 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 m -161.49 58.29 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 73.54 111.169 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.5 119.93 16.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.868 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.6 t -102.39 124.55 56.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 72.44 111.121 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.2 m -102.03 111.1 23.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.888 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 p -124.89 174.01 8.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 73.25 110.869 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.446 ' SG ' HG22 ' A' ' 5' ' ' THR . 58.0 m -81.09 125.72 30.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 71.34 110.889 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -124.67 156.61 37.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.482 ' N ' HD11 ' A' ' 7' ' ' LEU . 13.2 mt-30 -106.92 85.59 1.99 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.616 0.722 . . . . 45.04 110.948 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -173.13 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 70.04 112.363 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.72 37.9 25.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 62.52 110.867 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.38 171.94 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 63.41 110.847 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 t60 52.06 67.72 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 74.44 110.854 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -164.66 28.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.918 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.2 tt -173.31 135.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.13 111.134 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 54.3 70.07 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 55.45 111.11 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.04 104.09 11.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 72.24 110.876 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.46 148.77 24.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.825 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 pp -141.32 131.73 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 63.5 111.134 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.5 mt -57.21 142.34 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 64.52 111.166 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.36 119.74 14.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.833 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.71 169.26 10.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.934 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -178.07 152.01 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 73.53 111.056 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.3 167.68 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 74.1 110.91 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.2 t -165.78 151.21 8.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 55.23 111.109 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.7 t -160.67 146.69 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 72.34 111.131 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 73.05 110.937 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.858 0.361 . . . . 73.22 111.13 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -67.94 -36.91 80.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.823 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.37 145.12 55.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 53.13 111.109 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p -74.98 -170.99 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 43.11 110.91 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.456 HG22 ' SG ' ' A' ' 44' ' ' CYS . 28.9 m -108.96 86.35 3.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.69 . . . . 71.25 111.145 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -167.41 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.688 2.258 . . . . 74.12 112.374 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.603 HD11 ' N ' ' A' ' 46' ' ' GLN . 0.5 OUTLIER -68.25 157.11 36.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.421 . . . . 74.42 110.932 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.6 mt 63.55 28.44 15.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.129 -0.487 . . . . 72.32 110.935 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -134.05 138.51 45.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 73.35 110.796 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.33 145.56 21.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.883 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 p -140.03 22.14 2.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 64.51 110.894 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 t -54.1 -27.6 34.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 61.22 110.855 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -59.75 -46.32 89.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 55.13 110.872 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.11 118.86 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.849 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -56.12 -24.93 43.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.872 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -103.65 26.89 7.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.836 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.2 t -99.84 -23.35 14.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.996 0.427 . . . . 52.44 110.887 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.5 m -52.87 151.95 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 71.45 110.862 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.9 m -52.86 173.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.873 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -130.56 169.22 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 71.24 110.839 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.13 -175.22 19.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.675 -0.774 . . . . 61.44 112.44 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -88.83 -25.83 21.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 51.53 110.845 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.9 ttp -91.11 -66.46 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 74.21 110.866 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -143.7 154.73 43.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 70.04 110.874 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -99.63 139.25 35.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.861 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -58.17 142.46 47.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 64.3 110.96 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -109.3 135.11 49.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 74.2 111.176 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 t -73.88 104.63 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.945 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.38 142.4 32.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 73.02 110.859 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 71.2 m -116.01 138.67 51.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.889 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -145.45 -175.9 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 64.44 110.829 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -133.13 152.87 80.38 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.671 0.748 . . . . 70.02 110.904 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -3.55 12.26 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.695 2.263 . . . . 63.12 112.351 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 67.27 25.62 8.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 60.11 110.899 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.73 -57.12 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.763 -0.732 . . . . 75.12 112.484 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -100.29 96.17 7.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 74.34 110.898 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -82.25 54.71 2.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.83 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -117.45 -26.0 6.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 71.11 110.872 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -147.57 145.61 29.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 73.54 111.182 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -104.46 127.55 52.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 72.24 110.871 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 t -82.73 118.8 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 72.44 111.157 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.3 m -111.51 114.77 28.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 73.22 110.939 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.6 p -130.16 170.1 14.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 73.25 110.848 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 5' ' ' THR . 80.7 m -80.12 124.71 29.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 71.34 110.956 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -130.66 150.18 51.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 72.45 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.603 ' N ' HD11 ' A' ' 7' ' ' LEU . 5.3 pt20 -100.49 155.63 36.15 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.537 0.684 . . . . 45.04 110.905 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 34.78 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.731 2.287 . . . . 70.04 112.336 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 46' ' ' GLN . 1.3 mmtt -115.17 80.46 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 62.52 110.893 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.49 122.98 17.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 63.41 110.848 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -175.58 129.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.863 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' C ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -156.4 59.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 71.14 110.902 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.479 HD12 ' C ' ' A' ' 51' ' ' LYS . 3.8 mp 54.86 69.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 74.13 111.155 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -171.71 30.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 55.45 111.133 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -97.26 41.86 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -90.87 177.2 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.51 . . . . 74.44 110.92 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.3 tp -67.92 136.55 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 63.5 111.147 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.1 -66.26 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 64.52 111.155 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -173.76 98.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.858 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -134.91 66.7 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.947 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.8 -33.95 22.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 73.53 111.097 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.57 159.1 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 74.1 110.897 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 167.83 16.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 55.23 111.162 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.81 134.26 54.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.156 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 73.05 110.874 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.867 0.365 . . . . 73.22 111.175 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -144.89 159.18 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.41 110.904 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.6 159.47 18.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 53.13 111.068 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.1 p -99.23 -170.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 43.11 110.848 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 9' ' ' HIS . 28.4 m -108.94 86.88 4.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.594 0.711 . . . . 71.25 111.133 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -165.82 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.708 2.272 . . . . 74.12 112.298 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.732 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -67.71 153.05 44.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.849 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.732 ' HG ' HD23 ' A' ' 7' ' ' LEU . 9.9 mt 66.13 33.28 7.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 72.32 110.884 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.559 ' HB3' HG23 ' A' ' 5' ' ' THR . 13.7 m80 -135.62 138.35 42.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.86 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -51.05 141.61 13.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.835 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 p -130.44 12.17 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 64.51 110.908 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t -62.56 -22.34 66.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.452 . . . . 61.22 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -69.45 -42.04 75.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 55.13 110.849 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -165.22 122.01 1.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.903 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -22.01 66.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.923 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -99.31 5.6 46.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.896 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.8 t -81.37 -27.93 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 52.44 110.851 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.1 m -53.56 141.22 26.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 71.45 110.858 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.0 m -52.25 172.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.926 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.25 155.4 46.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 71.24 110.862 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.92 165.9 26.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 61.44 112.456 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -82.29 -17.13 46.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.815 0.34 . . . . 51.53 110.907 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.6 mtt -89.9 -65.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.856 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -141.04 151.59 44.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.879 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.58 140.21 29.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.893 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -72.81 128.18 34.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 64.3 110.901 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.9 m -108.02 164.95 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 74.2 111.164 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.4 125.65 35.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.905 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.33 125.24 34.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 73.02 110.893 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.1 m -99.96 138.81 36.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.853 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -145.2 176.5 9.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 64.44 110.877 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -111.27 83.43 4.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.716 0.769 . . . . 70.02 110.875 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 71.93 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.724 2.283 . . . . 63.12 112.346 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 65.03 31.19 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 60.11 110.825 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.35 124.78 16.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 75.12 112.46 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -75.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 74.34 110.966 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.53 -70.85 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 75.13 110.868 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -140.08 113.76 8.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 71.11 110.871 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -161.7 52.53 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 73.54 111.131 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.95 120.05 10.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 72.24 110.859 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -102.67 124.09 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 72.44 111.05 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.1 m -102.95 119.22 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 73.22 110.894 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.1 p -129.46 176.21 8.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 73.25 110.812 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.3 m -80.87 117.8 21.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 71.34 110.851 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -127.5 159.12 35.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 72.45 110.914 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -83.86 159.62 60.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.718 . . . . 45.04 110.908 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.71 -175.7 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.273 . . . . 70.04 112.324 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.03 162.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 62.52 110.928 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.8 t 51.85 82.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 63.41 110.834 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.52 -73.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 74.44 110.868 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.87 35.28 18.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 71.14 110.838 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.8 tt -115.73 -15.56 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 74.13 111.124 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -137.77 47.42 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 55.45 111.04 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -90.25 58.25 4.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 72.24 110.83 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -117.24 160.49 21.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.914 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 tt -158.92 143.98 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 63.5 111.176 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 pt -142.35 171.83 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 64.52 111.151 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.99 138.31 58.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.872 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.3 107.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.951 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.09 153.68 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 73.53 111.052 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.89 137.35 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.934 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.8 p -84.36 125.8 32.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 55.23 111.16 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.76 177.38 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 72.34 111.127 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 73.05 111.012 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.83 0.348 . . . . 73.22 111.082 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -98.57 -36.32 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 75.41 110.838 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.28 141.85 54.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 53.13 111.074 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -78.15 -170.39 1.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 43.11 110.937 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.8 m -109.15 86.68 4.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.555 0.693 . . . . 71.25 111.097 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -167.43 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.728 2.286 . . . . 74.12 112.377 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.733 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -67.34 154.33 41.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 74.42 110.921 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.733 ' HG ' HD23 ' A' ' 7' ' ' LEU . 12.8 mt 65.13 30.47 11.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.85 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.508 ' HB3' HG23 ' A' ' 5' ' ' THR . 6.2 m-70 -135.48 137.47 42.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 73.35 110.84 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.442 ' O ' HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -53.61 143.66 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.866 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.8 p -134.58 20.23 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 64.51 110.906 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -22.22 66.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 61.22 110.857 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -62.98 -41.71 99.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 55.13 110.858 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.13 121.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 73.23 110.838 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -53.42 -31.29 44.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.86 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -100.35 31.78 3.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.859 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.0 t -99.96 -25.29 14.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 52.44 110.886 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.1 m -58.17 143.17 45.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 71.45 110.894 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.0 m -51.73 170.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.854 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -132.27 158.56 41.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 71.24 110.895 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.33 -158.73 9.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.712 -0.756 . . . . 61.44 112.468 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -99.77 -29.48 12.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.708 0.29 . . . . 51.53 110.801 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.4 ttp -89.34 -63.39 1.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 74.21 110.883 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -146.89 156.13 42.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 70.04 110.95 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -95.91 147.98 23.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 73.14 110.916 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -59.41 146.58 39.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 64.3 110.949 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 m -106.38 143.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 74.2 111.146 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -81.58 108.14 14.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.894 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.66 123.09 45.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 73.02 110.885 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.0 m -101.49 138.7 38.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 73.42 110.835 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -145.7 -171.48 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.933 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -126.58 151.47 73.1 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.676 0.75 . . . . 70.02 110.905 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -4.22 13.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.267 . . . . 63.12 112.361 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 66.52 28.47 9.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 60.11 110.862 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.85 -58.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 75.12 112.505 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -100.22 95.4 6.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.369 . . . . 74.34 110.875 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.74 54.46 2.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 75.13 110.858 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.25 -23.32 8.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 71.11 110.853 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.6 m -147.96 141.92 25.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 73.54 111.164 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -95.55 135.07 37.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 72.24 110.91 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 t -96.05 117.14 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 72.44 111.117 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.5 m -113.11 121.24 43.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.883 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.8 p -129.99 170.45 13.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.901 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.449 ' SG ' HG22 ' A' ' 5' ' ' THR . 67.6 m -80.58 119.54 23.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.899 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -127.97 161.86 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 72.45 110.882 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.457 ' C ' ' H ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -83.62 159.43 61.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.517 0.675 . . . . 45.04 110.978 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 35.0 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.713 2.275 . . . . 70.04 112.346 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 46' ' ' GLN . 9.1 mmtt -92.6 96.11 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 62.52 110.951 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.55 125.53 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 63.41 110.822 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -68.66 -28.45 66.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.808 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -85.97 66.32 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 71.14 110.897 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.445 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 76.3 mt -53.22 103.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 74.13 111.134 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 52' ' ' ILE . . . 69.0 -77.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 55.45 111.087 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 57.6 39.82 27.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 72.24 110.854 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -111.08 176.75 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 74.44 110.929 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 tt -163.86 136.61 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 63.5 111.177 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 pt -135.56 171.66 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 64.52 111.127 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -165.62 175.69 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.834 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -173.41 169.02 4.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.926 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -125.99 177.52 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 73.53 111.1 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -139.9 137.01 34.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.924 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 p -117.0 141.38 48.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 55.23 111.115 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.7 t -96.92 -25.62 15.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.133 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 73.05 110.947 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.81 0.338 . . . . 73.22 111.056 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -93.54 -27.68 16.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 75.41 110.956 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.22 17.05 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 53.13 111.069 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.3 p -60.67 -170.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 43.11 110.906 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.561 HG23 ' HB3' ' A' ' 9' ' ' HIS . 28.7 m -108.93 87.14 4.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 71.25 111.202 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -167.39 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.695 2.263 . . . . 74.12 112.286 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.621 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -67.15 153.12 44.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.869 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.621 ' HG ' HD23 ' A' ' 7' ' ' LEU . 11.6 mt 66.12 29.28 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.986 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.561 ' HB3' HG23 ' A' ' 5' ' ' THR . 7.5 m-70 -135.21 136.98 42.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.901 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.428 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -59.02 143.7 47.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 72.33 110.853 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -134.11 22.51 3.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 64.51 110.836 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.3 t -56.28 -24.65 44.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 61.22 110.749 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -59.16 -42.73 91.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 55.13 110.829 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -165.38 123.94 1.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.86 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -33.91 35.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.876 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -99.59 35.65 1.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 74.45 110.885 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 t -100.44 -29.48 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 52.44 110.829 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 61.2 m -51.59 149.87 4.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 71.45 110.893 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.9 m -57.46 -176.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.859 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -129.31 -39.52 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 71.24 110.877 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.98 164.81 0.51 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.752 -0.737 . . . . 61.44 112.438 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -86.44 -17.75 33.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 51.53 110.881 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.1 mmt -89.95 -72.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.87 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -139.8 155.85 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 70.04 110.872 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -96.34 134.05 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 73.14 110.885 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -73.69 145.04 45.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 64.3 110.927 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.6 m -106.48 135.22 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 74.2 111.122 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 3.1 m -72.51 108.96 5.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 74.43 110.931 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.15 139.01 43.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 73.02 110.86 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.6 m -114.41 139.69 49.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.913 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -145.5 -170.92 3.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 64.44 110.857 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -132.04 153.04 81.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.687 0.756 . . . . 70.02 110.868 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.75 -4.15 13.43 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.657 2.238 . . . . 63.12 112.376 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 66.35 27.57 10.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 60.11 110.889 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -152.83 -57.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 75.12 112.441 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -100.32 96.65 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 74.34 110.866 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.89 54.44 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.13 110.863 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -114.79 -28.35 7.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 71.11 110.933 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.4 t -146.12 144.65 30.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 73.54 111.224 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -100.47 131.45 46.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 72.24 110.834 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 t -86.32 116.71 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 72.44 111.11 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 76.6 m -111.21 113.81 26.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 73.22 110.975 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.8 p -129.82 167.78 17.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 73.25 110.87 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.43 ' SG ' HG22 ' A' ' 5' ' ' THR . 68.9 m -80.78 123.99 28.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 71.34 110.854 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -129.14 163.22 25.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.941 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.468 ' OE1' HD13 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -85.5 159.62 55.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 45.04 110.862 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 34.99 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 70.04 112.332 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 46' ' ' GLN . 5.9 mttp 52.03 67.37 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 62.52 110.892 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 m -110.83 151.05 28.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 63.41 110.858 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -174.51 -43.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.936 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -169.25 57.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 71.14 110.918 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.8 mm -115.79 -15.53 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 74.13 111.154 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.68 -67.68 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 55.45 111.095 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 52.98 82.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.871 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.33 145.14 31.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 74.44 110.912 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.0 tp -84.92 -30.02 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 63.5 111.186 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.2 mm -80.05 89.91 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 64.52 111.156 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -115.39 40.23 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.88 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.32 94.89 4.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.918 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -175.79 67.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.4 . . . . 73.53 111.085 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 137.1 45.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.876 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 t -134.44 124.52 25.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 55.23 111.076 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.13 179.94 7.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 72.34 111.178 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 73.05 110.898 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.893 0.378 . . . . 73.22 111.101 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -116.51 -33.65 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 75.41 110.951 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.36 17.26 4.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 53.13 111.103 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.7 p -66.66 -170.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 43.11 110.849 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.521 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.3 m -108.86 86.65 3.92 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.586 0.708 . . . . 71.25 111.176 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -166.59 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.659 2.24 . . . . 74.12 112.329 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.572 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -67.91 156.69 36.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 74.42 110.919 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.572 ' HG ' HD23 ' A' ' 7' ' ' LEU . 15.1 mt 63.61 30.72 14.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.945 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.521 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.4 m-70 -135.05 139.1 44.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.904 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.448 ' O ' HG21 ' A' ' 5' ' ' THR . 17.8 m-20 -53.74 147.21 12.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 72.33 110.849 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.3 p -140.23 23.51 2.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 64.51 110.902 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.2 t -57.79 -34.03 69.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 61.22 110.863 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -59.29 -42.92 92.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 55.13 110.841 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -165.2 122.33 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.836 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -22.11 66.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.892 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -99.55 5.59 46.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.816 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.0 t -79.49 -24.15 42.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 52.44 110.867 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.4 m -51.48 153.58 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 71.45 110.826 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.7 m -57.87 -174.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 74.11 110.857 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -129.58 -46.57 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 71.24 110.874 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.6 163.09 0.33 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 61.44 112.484 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.41 -12.17 49.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 51.53 110.892 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.9 mtp -89.66 -72.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.891 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -144.34 154.56 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 70.04 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -92.18 136.55 33.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.862 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -79.91 140.5 36.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 64.3 110.959 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.11 138.36 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 74.2 111.144 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -70.65 124.0 23.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 74.43 110.906 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.1 135.58 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 73.02 110.878 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.7 m -106.41 140.65 38.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.875 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -145.49 170.43 16.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 64.44 110.855 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -110.31 81.99 2.5 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.65 0.738 . . . . 70.02 110.997 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.62 70.73 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.277 . . . . 63.12 112.407 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 64.51 28.38 13.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 60.11 110.878 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -153.45 52.24 0.47 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 75.12 112.461 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -75.49 -22.56 57.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 74.34 110.949 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.69 -11.84 33.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 75.13 110.899 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -99.99 -71.48 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 71.11 110.872 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -159.99 155.46 25.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 73.54 111.169 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -95.91 141.53 29.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.915 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.2 t -104.16 125.1 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 72.44 111.109 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.0 m -111.18 115.88 30.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.897 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.0 p -128.95 170.7 13.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.824 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.418 ' SG ' HG22 ' A' ' 5' ' ' THR . 74.6 m -80.66 119.9 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 71.34 110.809 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -123.2 150.21 43.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 72.45 110.921 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.558 ' N ' HD11 ' A' ' 7' ' ' LEU . 5.2 pt20 -99.16 154.71 37.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.526 0.679 . . . . 45.04 110.961 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 35.07 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 70.04 112.344 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 46' ' ' GLN . 16.9 tttm -61.83 111.18 1.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 62.52 110.91 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.31 -179.2 3.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 63.41 110.883 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -59.12 -25.61 64.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 74.44 110.824 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tttm 63.23 99.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 71.14 110.839 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.5 pt -70.62 154.68 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.13 111.107 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.34 98.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.502 . . . . 55.45 111.107 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -115.52 94.53 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.878 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -62.65 172.36 1.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.941 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 tt -125.79 139.2 52.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 63.5 111.204 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 tt -86.28 -28.42 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 64.52 111.147 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 62.66 166.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.885 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -97.22 162.84 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 73.11 110.926 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.67 117.52 16.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.53 111.119 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -176.57 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 74.1 110.868 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.85 134.55 19.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 55.23 111.118 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.9 m -60.04 -56.58 19.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 72.34 111.196 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 73.05 110.938 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.82 0.343 . . . . 73.22 111.154 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -88.57 142.99 27.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 75.41 110.845 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.96 160.4 14.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 53.13 111.161 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -96.04 -170.43 2.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 43.11 110.84 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.547 HG23 ' HB3' ' A' ' 9' ' ' HIS . 31.5 m -108.98 86.14 3.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 71.25 111.215 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -166.67 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.678 2.252 . . . . 74.12 112.374 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.686 HD23 ' HG ' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -67.55 155.19 39.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.931 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.686 ' HG ' HD23 ' A' ' 7' ' ' LEU . 13.0 mt 64.8 31.16 11.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 72.32 110.916 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.547 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.7 m-70 -135.12 139.16 44.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 73.35 110.88 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.454 ' O ' HG21 ' A' ' 5' ' ' THR . 6.5 m-20 -52.96 146.73 10.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 72.33 110.851 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.3 p -140.28 26.86 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 64.51 110.856 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 p -71.73 -24.31 61.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 61.22 110.831 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -62.97 -46.4 87.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 55.13 110.874 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -162.51 119.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.838 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -57.31 -23.63 49.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.853 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -99.48 25.71 6.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.801 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.5 t -100.34 -29.33 12.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 52.44 110.887 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.5 m -51.68 143.36 12.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 71.45 110.923 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.1 m -52.02 170.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 74.11 110.94 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -131.38 169.47 15.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 71.24 110.877 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.02 -172.43 16.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.695 -0.764 . . . . 61.44 112.457 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -94.6 -25.3 16.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 51.53 110.857 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.8 mtm -90.2 -66.78 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 74.21 110.877 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -143.47 151.4 40.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 70.04 110.893 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -94.16 151.56 19.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 73.14 110.854 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -69.64 142.68 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 64.3 110.903 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -111.86 138.15 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.2 111.095 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.11 131.02 43.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.43 110.881 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.39 121.5 27.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 73.02 110.887 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 63.5 m -99.46 142.44 30.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.882 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -146.09 159.48 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 64.44 110.895 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.455 ' C ' ' H ' ' A' ' 34' ' ' GLU . 3.9 m-85 -112.11 85.41 6.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 70.02 110.967 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 37.0 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 63.12 112.399 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.455 ' H ' ' C ' ' A' ' 32' ' ' TYR . 30.0 mm-40 46.64 29.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 60.11 110.925 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.78 2.86 2.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 75.12 112.516 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.491 ' CG ' HG23 ' A' ' 41' ' ' VAL . 53.5 mm-40 -101.43 94.95 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.363 . . . . 74.34 110.87 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -96.79 11.23 36.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.865 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.83 -43.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.11 110.929 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.2 t -160.83 134.59 6.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 73.54 111.163 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.22 156.03 7.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.428 . . . . 72.24 110.913 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.491 HG23 ' CG ' ' A' ' 36' ' ' GLU . 16.9 t -86.14 114.86 26.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 72.44 111.133 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.0 m -107.22 115.25 29.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 73.22 110.848 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.6 p -124.48 169.33 11.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.838 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.32 120.32 24.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 71.34 110.925 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -127.7 152.32 47.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 72.45 110.848 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -101.48 156.66 34.9 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 45.04 110.892 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -170.81 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.235 . . . . 70.04 112.384 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.56 -178.36 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 62.52 110.841 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 t -62.61 -177.89 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 63.41 110.92 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -125.14 89.66 3.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.876 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.46 97.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.924 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.6 pt -109.44 -15.41 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 74.13 111.09 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -160.63 123.0 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 55.45 111.131 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -172.42 96.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.925 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 145.3 50.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.911 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.3 tt -79.39 148.02 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 63.5 111.116 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.2 mp -123.25 -51.56 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 64.52 111.155 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -68.32 161.19 27.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 75.13 110.894 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.86 106.14 15.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 73.11 110.919 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.18 163.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 73.53 111.128 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -92.72 151.81 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.831 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.65 153.29 22.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 55.23 111.166 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.63 123.72 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 72.34 111.18 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 73.05 110.898 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.927 0.394 . . . . 73.22 111.132 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -68.7 134.23 49.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 75.41 110.875 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.61 18.8 3.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 53.13 111.073 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.8 p -78.71 -168.44 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 43.11 110.915 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.576 HG23 ' HB3' ' A' ' 9' ' ' HIS . 27.0 m -131.39 90.09 38.92 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.575 0.702 . . . . 71.25 111.183 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -165.53 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.703 2.268 . . . . 74.12 112.346 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.739 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -68.77 152.8 44.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.86 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.739 ' HG ' HD23 ' A' ' 7' ' ' LEU . 14.7 mt 65.02 32.25 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 72.32 110.967 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.576 ' HB3' HG23 ' A' ' 5' ' ' THR . 16.5 m80 -135.28 141.0 45.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.901 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.569 ' O ' HG21 ' A' ' 5' ' ' THR . 11.2 m-20 -51.72 132.91 31.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.852 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 p -118.26 12.99 13.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 64.51 110.91 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 p -60.2 -20.45 58.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 61.22 110.831 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -69.82 -50.56 41.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 55.13 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.19 121.84 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 73.23 110.865 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -24.2 67.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.881 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -99.23 5.54 46.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.84 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -90.05 -25.66 20.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 52.44 110.857 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.1 m -52.19 142.48 16.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 71.45 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.4 m -50.66 168.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 74.11 110.895 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -129.89 149.64 51.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 71.24 110.914 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.52 -159.29 18.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 61.44 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -98.54 -25.48 14.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 51.53 110.872 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.0 mtm -92.07 -70.52 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.883 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -136.67 162.7 32.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 70.04 110.819 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -92.21 144.71 25.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 73.14 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -68.39 144.42 54.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 64.3 110.981 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -107.66 173.2 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 74.2 111.094 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.63 130.37 39.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 74.43 110.885 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.42 119.06 23.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 73.02 110.799 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.9 m -99.53 141.53 32.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 73.42 110.88 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -145.25 172.31 13.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 64.44 110.886 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -110.35 81.98 2.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 70.02 110.947 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 70.81 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 63.12 112.392 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 64.44 29.56 13.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 60.11 110.933 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.54 34.71 1.05 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.663 -0.78 . . . . 75.12 112.452 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.96 -21.46 61.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 74.34 110.858 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -98.78 -15.58 19.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.901 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -100.04 -71.6 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 71.11 110.926 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 t -157.75 159.98 37.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 73.54 111.218 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.97 157.32 17.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 72.24 110.914 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.1 t -119.65 129.74 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 72.44 111.159 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.1 m -112.08 124.17 51.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.22 110.9 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.9 p -130.28 173.09 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 73.25 110.894 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.427 ' SG ' HG22 ' A' ' 5' ' ' THR . 27.4 m -80.73 123.15 27.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 71.34 110.918 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -131.93 157.64 43.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 72.45 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.461 ' C ' ' H ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -82.27 159.61 64.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.544 0.688 . . . . 45.04 111.001 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 35.19 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 70.04 112.322 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 46' ' ' GLN . 15.6 ptmt -155.45 155.32 33.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 62.52 110.804 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.98 173.87 7.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 63.41 110.814 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -157.04 71.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.846 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -155.7 54.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 71.14 110.925 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 tt -116.21 -15.55 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.13 111.133 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -137.67 59.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 55.45 111.023 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.1 -27.95 15.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.881 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -139.82 159.1 42.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 74.44 110.906 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.3 pt -83.82 172.32 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 63.5 111.176 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 pp -97.02 160.28 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 64.52 111.114 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.22 -172.27 3.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.905 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -66.88 160.71 25.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 73.11 110.816 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -162.64 168.49 21.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 73.53 111.093 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.91 95.82 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.905 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.5 p -151.82 154.69 36.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 55.23 111.165 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.7 t -106.11 163.35 12.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 72.34 111.167 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 73.05 110.941 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.867 0.365 . . . . 73.22 111.115 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -76.13 -20.94 57.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.875 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.43 17.95 4.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 53.13 111.12 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.3 p -67.91 -170.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 43.11 110.811 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.431 HG22 ' SG ' ' A' ' 44' ' ' CYS . 30.5 m -109.0 87.62 4.82 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.566 0.698 . . . . 71.25 111.085 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -168.18 0.26 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.685 2.257 . . . . 74.12 112.291 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.586 HD11 ' N ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -67.04 159.8 27.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.918 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.404 ' HG ' HD23 ' A' ' 7' ' ' LEU . 28.5 mt 55.95 30.62 16.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 72.32 110.905 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.5 141.26 48.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 73.35 110.854 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -62.91 140.08 58.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.854 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.2 p -135.91 28.86 3.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 64.51 110.876 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.6 t -59.65 -26.83 65.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 61.22 110.881 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -62.89 -36.1 82.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 55.13 110.818 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.85 123.06 1.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 73.23 110.867 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -64.61 -17.14 63.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.843 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -107.44 3.75 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.853 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 t -74.5 -23.04 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 52.44 110.879 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 55.8 m -51.69 140.87 17.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 71.45 110.865 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.8 m -51.23 169.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.886 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -132.61 171.46 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 71.24 110.903 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.43 -170.77 15.9 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.697 -0.763 . . . . 61.44 112.456 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -97.92 -24.7 15.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.747 0.308 . . . . 51.53 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.2 mtm -90.32 -68.94 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.85 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -136.77 150.77 48.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 70.04 110.849 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -99.88 139.87 34.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 73.14 110.922 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -66.1 149.5 50.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 64.3 110.877 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.3 m -115.44 129.65 71.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.038 -0.528 . . . . 74.2 111.091 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 7.1 m -74.12 105.03 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.928 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.37 143.8 30.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 73.02 110.911 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 70.9 m -113.95 139.69 49.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.881 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -145.63 -173.45 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -116.03 150.86 45.83 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 70.02 110.955 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -4.66 14.5 Favored 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.729 2.286 . . . . 63.12 112.316 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 65.85 24.46 11.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 60.11 110.877 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.48 -55.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 75.12 112.492 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -100.63 98.26 8.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 74.34 110.901 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -84.92 53.69 2.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.897 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.8 -30.44 7.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 71.11 110.931 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 t -145.94 147.51 31.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 73.54 111.125 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -94.41 129.63 41.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 72.24 110.831 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.6 t -85.15 116.38 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 72.44 111.107 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.8 m -110.87 114.33 27.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.927 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.5 p -128.48 166.76 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 73.25 110.864 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.431 ' SG ' HG22 ' A' ' 5' ' ' THR . 61.3 m -81.13 120.25 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 71.34 110.912 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -123.89 150.26 44.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 72.45 110.969 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.586 ' N ' HD11 ' A' ' 7' ' ' LEU . 5.5 pt20 -100.38 155.68 36.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 45.04 110.873 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 35.05 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.739 2.293 . . . . 70.04 112.358 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -137.59 96.29 3.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 62.52 110.85 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.6 t -79.14 62.44 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 63.41 110.849 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.29 98.01 6.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.852 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -53.44 -75.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.924 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.2 mt 61.03 58.89 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 74.13 111.102 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -178.43 -65.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 55.45 111.094 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 52.22 59.71 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.903 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 132.5 54.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.939 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.0 tt -146.3 138.52 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 63.5 111.11 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.1 pt -132.02 -179.17 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 64.52 111.137 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.24 110.17 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 75.13 110.843 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 165.23 8.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.93 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.69 129.62 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 73.53 111.044 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -100.83 140.21 35.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.917 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.15 107.74 18.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 55.23 111.13 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.22 167.54 13.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 72.34 111.168 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 73.05 110.864 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.866 0.365 . . . . 73.22 111.06 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -101.42 18.89 18.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 75.41 110.921 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.64 128.8 34.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 53.13 111.078 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.4 p -97.78 -170.97 2.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 43.11 110.93 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.511 HG23 ' HB3' ' A' ' 9' ' ' HIS . 29.0 m -108.73 87.59 4.56 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.561 0.696 . . . . 71.25 111.135 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -167.75 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.708 2.272 . . . . 74.12 112.288 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.66 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -67.32 154.36 41.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.913 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.66 ' HG ' HD23 ' A' ' 7' ' ' LEU . 12.2 mt 63.93 29.91 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 72.32 110.981 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.511 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.0 m-70 -134.63 139.24 45.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.35 110.837 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -60.51 142.05 55.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.847 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.8 p -139.66 28.18 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 64.51 110.88 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 p -62.08 -24.6 67.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 61.22 110.821 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -59.61 -39.66 84.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 55.13 110.884 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.21 120.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.855 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -54.37 -28.63 44.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.86 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.54 30.67 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 74.45 110.843 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 p -99.53 -26.29 14.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 52.44 110.841 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 62.0 m -53.74 149.62 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.868 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.7 m -58.49 -172.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 74.11 110.809 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -128.04 -6.75 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.846 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.4 172.89 0.39 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 61.44 112.526 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -73.93 -48.35 31.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 51.53 110.862 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.9 ttp -124.6 -36.18 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.852 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -100.22 128.8 46.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.429 . . . . 70.04 110.836 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.15 131.75 44.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 73.14 110.894 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -81.32 145.88 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 64.3 110.932 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 m -117.85 136.29 55.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.11 -0.495 . . . . 74.2 111.112 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 4.0 m -70.57 119.66 15.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.939 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.31 138.07 54.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 73.02 110.855 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.8 m -113.2 141.25 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 73.42 110.913 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -145.82 -170.8 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 64.44 110.878 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -124.41 143.97 44.58 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.631 0.729 . . . . 70.02 110.933 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 -2.94 11.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 63.12 112.398 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 68.91 30.62 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 60.11 110.864 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.26 168.2 24.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 75.12 112.543 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -99.98 -19.67 16.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.828 0.347 . . . . 74.34 110.897 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -94.2 19.27 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 75.13 110.881 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -140.42 175.93 9.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 71.11 110.953 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.29 172.74 9.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 73.54 111.146 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -56.77 158.69 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.913 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 t -133.83 119.75 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 72.44 111.102 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.6 m -105.09 110.95 23.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.884 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 p -129.95 165.55 21.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 73.25 110.842 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.43 ' SG ' HG22 ' A' ' 5' ' ' THR . 68.2 m -80.55 123.12 27.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 71.34 110.883 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -125.76 151.28 46.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.904 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.585 ' N ' HD11 ' A' ' 7' ' ' LEU . 4.5 pt20 -100.07 154.68 37.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 45.04 110.951 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 34.87 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.272 . . . . 70.04 112.334 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -55.2 -42.6 73.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 62.52 110.996 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.1 p -95.64 47.94 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 63.41 110.86 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -173.05 99.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.877 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -108.19 -75.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 71.14 110.853 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.9 mt 51.74 68.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.13 111.143 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 56.89 71.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 55.45 111.11 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.0 109.71 22.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 72.24 110.877 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -88.67 158.07 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 74.44 110.851 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pp -121.84 179.37 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 63.5 111.12 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.9 tt -128.36 137.29 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 64.52 111.138 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -71.2 124.1 23.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 75.13 110.882 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.84 112.91 10.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.898 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.59 165.51 24.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.53 111.154 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.83 -172.68 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 74.1 110.853 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.6 t -116.93 160.32 21.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 55.23 111.093 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.2 p -105.2 168.97 8.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.227 -0.442 . . . . 72.34 111.159 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 73.05 110.952 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.799 0.333 . . . . 73.22 111.039 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -95.37 159.01 15.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 75.41 110.917 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.97 131.4 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 53.13 111.098 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p -75.65 -171.39 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 43.11 110.878 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.6 m -109.01 86.05 3.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.567 0.698 . . . . 71.25 111.145 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -165.61 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 74.12 112.387 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.692 HD23 ' HG ' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -67.85 155.77 38.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.922 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.692 ' HG ' HD23 ' A' ' 7' ' ' LEU . 10.1 mt 66.24 30.6 9.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 72.32 110.945 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.476 ' HB3' HG23 ' A' ' 5' ' ' THR . 23.6 m80 -135.47 138.52 43.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 73.35 110.785 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -52.8 147.73 8.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 72.33 110.919 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 p -139.01 19.01 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 64.51 110.901 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.9 t -56.62 -26.95 57.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 61.22 110.838 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -65.87 -43.08 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 55.13 110.794 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.95 118.39 2.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.419 . . . . 73.23 110.823 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -61.51 -17.87 56.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.862 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -115.0 25.83 10.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 74.45 110.875 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.8 t -96.91 -22.14 17.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 52.44 110.87 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.0 m -52.14 158.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 71.45 110.855 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.1 m -57.74 -174.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.868 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.49 -41.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 71.24 110.871 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.63 164.7 0.31 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.763 . . . . 61.44 112.458 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.19 -13.91 54.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 51.53 110.905 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.7 mtm -90.18 -72.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.835 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -147.87 155.02 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.924 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -88.76 138.1 31.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.9 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -77.53 142.89 38.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 64.3 110.898 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.0 m -109.8 139.66 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 74.2 111.155 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.18 121.73 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.927 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.93 130.45 52.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 73.02 110.867 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.6 m -106.4 137.02 45.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 73.42 110.808 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -145.24 170.55 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 64.44 110.882 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -110.46 82.23 2.7 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.668 0.747 . . . . 70.02 110.878 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 68.32 1.63 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.724 2.283 . . . . 63.12 112.33 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 48.31 30.79 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 60.11 110.901 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.83 79.77 1.65 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 75.12 112.514 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.4 -41.94 72.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 74.34 110.946 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -100.34 -10.45 21.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 75.13 110.929 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -99.86 -166.58 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 71.11 110.888 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.9 t -123.83 179.15 4.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 73.54 111.141 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -57.09 126.17 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.848 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.4 t -94.9 120.85 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 72.44 111.154 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.1 m -107.15 114.3 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.22 110.878 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 p -126.47 168.36 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 73.25 110.884 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.41 ' SG ' HG22 ' A' ' 5' ' ' THR . 83.3 m -80.04 119.74 23.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 71.34 110.868 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -129.02 152.5 48.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.954 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.46 ' C ' ' H ' ' A' ' 48' ' ' LYS . 5.3 pt20 -101.12 156.6 34.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 45.04 110.931 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 35.08 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.747 2.298 . . . . 70.04 112.329 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 46' ' ' GLN . 16.5 mtpt 51.87 88.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 62.52 110.878 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 p -141.77 -172.41 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 63.41 110.913 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 72.26 -69.24 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.883 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.2 tttt -169.28 99.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 71.14 110.88 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 5.8 tp -177.56 121.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 74.13 111.167 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 52' ' ' ILE . . . 68.9 -77.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 55.45 111.055 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -74.23 -42.15 60.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 72.24 110.918 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.22 25.34 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 74.44 110.833 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 tt -72.48 140.69 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 63.5 111.128 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.9 mt -83.11 95.52 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 64.52 111.155 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -98.21 61.66 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 75.13 110.831 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.35 112.83 26.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.89 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.18 152.31 32.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 73.53 111.137 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.89 111.3 16.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 74.1 110.876 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.6 t -71.42 151.92 43.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 55.23 111.116 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.0 t -125.24 121.65 34.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 72.34 111.082 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 73.05 110.969 179.855 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.865 0.364 . . . . 43.11 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.444 HG22 ' SG ' ' A' ' 44' ' ' CYS . 30.3 m -109.14 86.22 3.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 71.25 111.124 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -169.23 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.7 2.267 . . . . 74.12 112.346 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.641 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -67.34 154.69 40.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.932 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.641 ' HG ' HD23 ' A' ' 7' ' ' LEU . 25.6 mt 62.57 29.44 16.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.959 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -133.66 140.36 47.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.82 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.58 140.07 57.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.876 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.7 p -132.19 26.79 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 64.51 110.924 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.3 t -60.59 -27.54 67.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 61.22 110.867 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -60.84 -34.73 75.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 55.13 110.821 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.98 121.25 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.86 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -60.97 -18.31 56.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.21 110.896 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -116.41 26.97 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 74.45 110.821 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -94.66 -20.16 19.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 52.44 110.827 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.2 m -51.28 143.63 10.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.838 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.8 m -51.39 169.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.898 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -130.8 158.05 41.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.87 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.94 -174.17 13.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.786 -0.721 . . . . 61.44 112.56 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -88.24 -36.4 16.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 51.53 110.871 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.6 mtm -90.15 -72.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.901 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -127.61 148.97 50.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 70.04 110.913 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 171.02 8.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 73.14 110.863 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -87.73 139.39 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 64.3 110.883 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -109.78 132.45 57.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 74.2 111.116 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 m -70.49 128.89 37.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.9 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.71 131.86 46.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.02 110.881 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 64.7 m -104.6 140.9 37.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.865 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -145.54 170.12 17.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 64.44 110.847 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.716 0.769 . . . . 70.02 110.898 -179.832 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.861 0.362 . . . . 72.24 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 82.8 t -106.32 127.96 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.44 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.0 m -112.25 113.35 25.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.849 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.4 p -123.93 167.8 13.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.9 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.444 ' SG ' HG22 ' A' ' 5' ' ' THR . 69.1 m -80.61 124.52 29.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.889 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -124.7 150.46 46.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.45 110.95 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.568 ' N ' HD11 ' A' ' 7' ' ' LEU . 5.1 pt20 -100.02 154.62 37.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 45.04 110.897 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.65 2.233 . . . . 70.04 112.368 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.946 0.403 . . . . 43.11 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.17 86.44 4.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.601 0.715 . . . . 71.25 111.126 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -169.27 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.765 2.31 . . . . 74.12 112.33 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.632 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -68.08 152.32 45.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.924 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.632 ' HG ' HD23 ' A' ' 7' ' ' LEU . 16.0 mt 64.23 29.72 13.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.917 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -132.6 140.82 48.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 73.35 110.852 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.3 129.59 40.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.888 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -123.23 25.6 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 64.51 110.894 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.2 t -53.22 -28.33 26.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 61.22 110.913 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -59.6 -35.84 75.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 55.13 110.85 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.27 120.22 1.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.892 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -61.04 -18.21 56.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 74.21 110.923 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -116.09 27.1 9.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 74.45 110.854 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -97.18 -17.4 19.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 52.44 110.865 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 67.2 m -51.41 144.61 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 71.45 110.851 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.4 m -51.05 168.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.905 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 ptt85 -134.88 166.0 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 71.24 110.876 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.12 -166.56 11.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 61.44 112.463 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -78.19 -30.33 48.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 51.53 110.818 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 44.1 mtm -92.4 -72.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.868 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -144.24 159.14 43.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 70.04 110.85 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -95.41 157.89 15.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 73.14 110.885 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.79 161.25 15.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 64.3 110.872 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 m -111.3 129.4 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 74.2 111.126 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 3.1 m -75.5 107.04 7.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.847 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.22 142.95 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.02 110.88 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.2 m -116.31 139.5 50.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -145.58 -172.87 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 64.44 110.877 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.687 0.756 . . . . 70.02 110.921 -179.854 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.943 0.401 . . . . 72.24 110.846 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.5 t -82.26 115.5 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 72.44 111.126 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.81 112.74 24.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 73.22 110.865 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.8 p -129.25 165.98 20.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 73.25 110.879 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.8 m -80.54 124.57 29.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 71.34 110.903 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -126.97 162.36 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 72.45 110.877 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.569 HE21 HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -86.22 159.27 54.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 45.04 110.9 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.266 . . . . 70.04 112.332 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.916 0.389 . . . . 43.11 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 9' ' ' HIS . 28.3 m -109.12 86.77 4.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.712 . . . . 71.25 111.184 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -167.04 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.712 2.274 . . . . 74.12 112.371 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.735 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -68.28 152.98 44.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.937 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.735 ' HG ' HD23 ' A' ' 7' ' ' LEU . 18.9 mt 64.25 29.63 13.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.464 . . . . 72.32 110.919 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.505 ' HB3' HG23 ' A' ' 5' ' ' THR . 2.9 m-70 -132.47 138.91 47.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 73.35 110.816 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.95 136.66 58.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.818 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -127.37 18.18 6.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 64.51 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.1 t -54.37 -34.42 61.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 61.22 110.864 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -59.7 -34.02 72.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 55.13 110.851 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -164.2 118.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.865 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -66.29 -13.6 60.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.912 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -111.64 4.91 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.874 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.84 -21.21 51.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 52.44 110.875 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 35.1 m -51.95 139.76 21.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 71.45 110.821 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.3 m -51.16 169.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.921 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.03 160.12 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.861 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.22 -170.23 13.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.808 -0.711 . . . . 61.44 112.481 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -84.67 -37.54 20.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 51.53 110.868 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.6 mtt -89.99 -68.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.21 110.929 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -134.63 158.12 44.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 70.04 110.854 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.47 151.62 20.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.967 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -61.24 156.7 17.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 64.3 110.903 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 m -113.73 130.22 68.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.2 111.156 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 1.7 m -72.0 112.74 8.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.896 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.8 144.75 37.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.102 -0.499 . . . . 73.02 110.893 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.7 m -115.9 140.17 49.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.872 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -145.69 -177.25 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 64.44 110.867 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.726 0.774 . . . . 70.02 110.904 -179.858 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.896 0.379 . . . . 72.24 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 t -83.06 118.23 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.44 111.119 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.1 m -112.56 112.07 23.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 73.22 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 p -128.2 171.0 12.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.816 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.413 ' SG ' HG22 ' A' ' 5' ' ' THR . 57.8 m -80.95 125.12 29.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 71.34 110.877 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -129.33 162.36 28.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.897 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.564 ' NE2' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -85.47 159.55 55.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.559 0.695 . . . . 45.04 110.861 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.622 2.215 . . . . 70.04 112.355 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.937 0.399 . . . . 43.11 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.569 HG23 ' HB3' ' A' ' 9' ' ' HIS . 31.1 m -109.04 87.23 4.51 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.611 0.72 . . . . 71.25 111.137 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -165.83 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.72 2.28 . . . . 74.12 112.306 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.722 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -67.08 154.38 41.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 74.42 110.869 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.722 ' HG ' HD23 ' A' ' 7' ' ' LEU . 9.8 mt 66.25 31.34 8.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 72.32 110.985 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.569 ' HB3' HG23 ' A' ' 5' ' ' THR . 30.5 m-70 -135.81 135.04 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.803 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.444 ' O ' HG21 ' A' ' 5' ' ' THR . 11.7 m-20 -51.49 150.8 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 72.33 110.914 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -139.38 11.69 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 64.51 110.89 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.3 t -59.21 -27.84 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 61.22 110.85 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -66.18 -36.48 83.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 55.13 110.869 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -164.85 117.28 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -66.19 -13.11 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.878 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -111.25 19.59 18.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 74.45 110.858 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.17 -25.39 16.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 52.44 110.868 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.1 m -52.77 146.64 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 71.45 110.899 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.8 m -58.57 -172.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.944 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -129.04 -35.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 71.24 110.799 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.72 163.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 61.44 112.525 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -80.83 -11.88 59.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.833 0.349 . . . . 51.53 110.904 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.0 ttp -90.3 -76.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.845 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -150.45 147.7 27.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 70.04 110.909 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.82 154.41 18.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 73.14 110.889 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -90.7 145.01 25.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 64.3 110.937 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.83 138.56 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 74.2 111.154 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 m -70.43 134.23 47.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.919 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.43 119.97 23.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 73.02 110.851 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.4 m -100.63 134.31 43.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.945 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -145.23 170.2 16.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 64.44 110.866 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.685 0.755 . . . . 70.02 111.002 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.93 0.395 . . . . 72.24 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.9 t -94.71 120.76 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 72.44 111.155 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.2 m -108.37 119.2 38.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.897 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.9 p -128.15 169.38 14.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.876 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.8 m -80.78 121.44 25.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.893 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -128.91 156.38 43.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 72.45 110.942 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.45 HE21 HD13 ' A' ' 7' ' ' LEU . 3.4 mt-30 -100.06 160.53 26.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.722 . . . . 45.04 110.89 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 70.04 112.361 179.925 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.925 0.393 . . . . 43.11 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 9' ' ' HIS . 33.1 m -109.24 86.21 3.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.55 0.69 . . . . 71.25 111.085 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -167.37 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.725 2.283 . . . . 74.12 112.282 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.669 HD23 ' HG ' ' A' ' 8' ' ' LEU . 1.1 tp -67.23 155.28 39.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 74.42 110.931 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.669 ' HG ' HD23 ' A' ' 7' ' ' LEU . 14.4 mt 64.98 30.37 11.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 72.32 110.867 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.523 ' HB3' HG23 ' A' ' 5' ' ' THR . 6.1 m-70 -135.35 138.61 43.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.862 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.418 ' O ' HG21 ' A' ' 5' ' ' THR . 12.7 m-20 -51.38 139.02 20.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.893 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -126.77 -0.52 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 64.51 110.878 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -29.02 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 61.22 110.906 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -60.4 -36.64 78.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 55.13 110.842 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -164.7 118.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.906 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -63.5 -16.0 59.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.876 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -115.61 24.18 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.85 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.28 -26.05 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 52.44 110.93 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.5 m -52.64 142.94 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 71.45 110.947 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.3 m -51.71 169.75 0.06 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 74.11 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -132.64 171.1 14.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 71.24 110.893 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.26 -147.31 5.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 61.44 112.549 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -95.68 -35.78 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 51.53 110.819 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -93.23 -66.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.923 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -144.23 160.34 41.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 70.04 110.9 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -94.75 166.81 11.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.979 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -64.1 154.89 33.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 64.3 110.937 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.51 145.62 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.2 111.075 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 m -77.08 128.12 33.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.03 117.98 23.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.02 110.856 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.1 m -99.36 124.57 44.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.885 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -145.88 -178.55 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.93 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.697 0.76 . . . . 70.02 110.94 -179.847 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.9 0.381 . . . . 72.24 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.0 t -74.25 113.87 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 72.44 111.182 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.0 m -99.72 118.41 36.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.829 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.7 p -129.63 169.66 14.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.25 110.878 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 66.9 m -81.06 119.28 23.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.869 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -123.22 159.7 28.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 72.45 110.86 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -59.83 153.76 51.69 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.582 0.706 . . . . 45.04 110.95 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 70.04 112.327 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.918 0.39 . . . . 43.11 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.536 HG23 ' HB3' ' A' ' 9' ' ' HIS . 28.2 m -108.98 87.16 4.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.538 0.685 . . . . 71.25 111.167 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -167.04 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.634 2.223 . . . . 74.12 112.334 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.743 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -67.69 152.5 45.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.938 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.743 ' HG ' HD23 ' A' ' 7' ' ' LEU . 18.1 mt 64.11 31.31 13.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.94 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.536 ' HB3' HG23 ' A' ' 5' ' ' THR . 3.2 m-70 -134.22 138.21 44.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.868 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.22 139.0 53.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 72.33 110.867 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -128.36 18.65 6.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 64.51 110.867 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -60.36 -30.99 69.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 61.22 110.866 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -60.06 -33.05 71.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 55.13 110.844 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -164.6 117.87 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.888 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -17.63 55.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.877 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -115.75 26.98 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 74.45 110.827 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -96.29 -21.93 17.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 52.44 110.91 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.1 m -52.26 140.09 22.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 71.45 110.903 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.2 m -52.66 172.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.862 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -131.57 161.53 32.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.833 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.98 -173.89 13.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 61.44 112.484 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -98.95 -23.9 15.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.843 0.354 . . . . 51.53 110.881 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.7 ttt -89.99 -61.53 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 74.21 110.887 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -142.55 151.14 41.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 70.04 110.836 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -98.13 140.78 31.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 73.14 110.932 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -66.86 139.31 57.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 64.3 110.927 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.6 m -112.44 134.64 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.2 111.16 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.4 m -71.69 113.92 9.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.913 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -115.42 130.94 57.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 73.02 110.856 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 78.2 m -105.88 123.14 47.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.85 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -145.66 166.06 26.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 64.44 110.888 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.656 0.741 . . . . 70.02 110.942 -179.86 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.856 0.36 . . . . 72.24 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 t -90.77 112.8 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.135 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.7 m -99.88 108.18 20.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.847 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 p -127.0 170.29 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.786 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.438 ' SG ' HG22 ' A' ' 5' ' ' THR . 58.8 m -80.96 116.88 21.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 71.34 110.859 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -122.89 158.77 29.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.923 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.526 HE21 HD13 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -84.25 159.26 59.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.572 0.701 . . . . 45.04 110.879 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.166 0 C-N-CA 122.707 2.271 . . . . 70.04 112.304 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.868 0.366 . . . . 43.11 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.426 HG22 ' SG ' ' A' ' 44' ' ' CYS . 33.8 m -109.13 87.47 4.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.698 . . . . 71.25 111.127 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -169.12 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.702 2.268 . . . . 74.12 112.356 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.579 HD11 ' N ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -67.39 159.42 29.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.912 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.428 ' HG ' HD23 ' A' ' 7' ' ' LEU . 12.1 mt 56.44 28.65 13.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.32 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -130.12 141.84 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 73.35 110.865 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -61.35 138.23 58.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.831 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.4 p -134.7 26.85 3.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 64.51 110.967 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -63.8 -24.93 67.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 61.22 110.806 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -66.51 -30.74 71.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 55.13 110.913 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.17 120.19 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.857 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -65.35 -14.54 61.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.838 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -112.06 4.33 17.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.806 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -74.2 -21.46 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 52.44 110.913 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 35.0 m -52.24 139.57 23.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 71.45 110.868 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.6 m -51.91 166.04 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.506 . . . . 74.11 110.946 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 126.37 38.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 71.24 110.877 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.08 -148.66 6.09 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.744 -0.741 . . . . 61.44 112.491 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -100.03 -45.33 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 51.53 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 ttm -89.33 -61.56 1.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.862 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -131.97 154.0 49.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 70.04 110.883 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.39 159.37 15.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 73.14 110.942 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -67.49 156.19 37.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.304 -0.407 . . . . 64.3 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -114.59 133.04 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 74.2 111.179 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 7.9 m -73.96 119.7 18.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.809 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.08 141.76 51.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 73.02 110.801 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.9 m -112.87 130.97 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.853 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -146.21 177.47 8.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.862 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.73 0.776 . . . . 70.02 110.943 -179.819 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.941 0.401 . . . . 72.24 110.813 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.5 t -74.49 118.59 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 72.44 111.12 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.3 m -99.55 110.61 23.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.857 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 p -128.92 169.05 15.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 73.25 110.942 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.426 ' SG ' HG22 ' A' ' 5' ' ' THR . 77.3 m -80.64 122.74 27.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.899 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -124.17 149.37 46.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 72.45 110.933 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.579 ' N ' HD11 ' A' ' 7' ' ' LEU . 5.8 pt20 -100.13 155.86 35.94 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.599 0.714 . . . . 45.04 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 70.04 112.342 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.965 0.412 . . . . 43.11 110.821 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 9' ' ' HIS . 31.2 m -109.08 86.36 3.91 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.535 0.683 . . . . 71.25 111.17 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -166.26 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.662 2.241 . . . . 74.12 112.356 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.724 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -68.07 153.91 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.935 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.724 ' HG ' HD23 ' A' ' 7' ' ' LEU . 10.6 mt 65.5 32.48 9.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.92 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.523 ' HB3' HG23 ' A' ' 5' ' ' THR . 8.8 m-70 -135.21 136.12 41.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.35 110.913 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.95 146.72 8.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.875 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 p -140.35 18.68 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 64.51 110.837 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t -62.15 -42.97 99.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 61.22 110.862 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -59.46 -31.68 69.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 55.13 110.865 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.16 97.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.82 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptt85 -62.75 -19.23 63.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.861 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -99.81 18.6 17.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.889 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -100.42 -16.96 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 52.44 110.914 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.7 m -51.11 143.49 10.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 71.45 110.922 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.2 m -51.86 170.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.837 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -131.81 162.71 29.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 71.24 110.878 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.27 -170.68 12.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.755 . . . . 61.44 112.52 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.72 -30.32 16.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.755 0.312 . . . . 51.53 110.862 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.2 mtp -90.1 -67.83 0.82 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 74.21 110.835 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -139.81 149.38 43.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 70.04 110.962 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.45 148.85 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.913 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -67.55 134.49 51.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.205 -0.452 . . . . 64.3 110.963 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.6 m -107.43 144.05 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 74.2 111.077 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 t -73.34 112.91 9.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.856 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.06 136.78 52.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.859 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.0 m -108.85 142.23 39.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.877 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -145.41 169.83 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 64.44 110.838 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 121.692 0.758 . . . . 70.02 110.914 -179.869 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.941 0.4 . . . . 72.24 110.848 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.1 t -107.28 126.64 63.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 72.44 111.077 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.3 m -110.61 112.44 24.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.22 110.874 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 p -126.71 171.64 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.82 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.3 m -80.22 124.37 28.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 71.34 110.932 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -131.06 165.12 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.895 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.514 HE21 HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -83.54 159.07 62.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 45.04 110.856 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 70.04 112.367 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 p . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.915 0.388 . . . . 43.11 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.576 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.3 m -121.08 87.99 44.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.658 0.742 . . . . 71.25 111.189 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.65 -167.78 0.24 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.732 2.288 . . . . 74.12 112.362 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.759 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -67.16 152.18 46.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.941 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.759 ' HG ' HD23 ' A' ' 7' ' ' LEU . 15.4 mt 64.31 30.76 13.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.418 . . . . 72.32 110.943 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.576 ' HB3' HG23 ' A' ' 5' ' ' THR . 3.0 m-70 -134.77 139.5 45.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.939 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -61.81 139.35 58.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.452 . . . . 72.33 110.816 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.5 p -134.88 28.04 3.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 64.51 110.854 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.5 p -61.81 -25.74 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 61.22 110.863 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -39.57 83.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 55.13 110.843 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.91 120.31 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.23 110.829 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -54.95 -27.83 46.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.836 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -101.45 28.89 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.45 110.845 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.5 t -99.37 -22.09 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 52.44 110.831 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 45.2 m -56.37 143.71 33.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.879 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -47.0 161.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 74.11 110.856 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -129.98 166.82 19.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 71.24 110.904 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 177.3 174.11 43.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 61.44 112.497 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -58.86 -69.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.833 0.349 . . . . 51.53 110.918 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.0 mtm -123.15 36.2 4.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.831 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -134.99 9.04 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 70.04 110.87 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -51.37 131.57 28.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 73.14 110.906 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -95.89 144.12 26.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 64.3 110.949 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -109.57 127.59 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 74.2 111.189 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 2.0 m -70.46 112.14 6.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -116.36 142.58 46.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 73.02 110.912 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.9 m -114.91 140.37 49.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.836 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -145.84 -174.77 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 64.44 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.645 0.736 . . . . 70.02 110.936 -179.863 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.929 0.395 . . . . 72.24 110.833 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.4 t -82.7 114.57 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 72.44 111.06 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.7 m -108.81 110.42 21.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.1 p -129.38 165.66 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.917 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.44 ' SG ' HG22 ' A' ' 5' ' ' THR . 60.9 m -80.56 121.51 25.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.34 110.906 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -122.16 169.58 10.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.885 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.634 HE21 HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -87.65 159.23 49.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.599 0.714 . . . . 45.04 110.913 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 70.04 112.345 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.849 0.357 . . . . 43.11 110.902 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.558 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.9 m -109.08 87.3 4.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.614 0.721 . . . . 71.25 111.125 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -167.58 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.649 2.232 . . . . 74.12 112.366 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.727 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -67.19 153.93 42.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 74.42 110.944 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.727 ' HG ' HD23 ' A' ' 7' ' ' LEU . 16.7 mt 64.19 31.88 12.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 72.32 110.889 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.558 ' HB3' HG23 ' A' ' 5' ' ' THR . 3.7 m-70 -135.53 138.98 43.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.882 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.437 ' O ' HG21 ' A' ' 5' ' ' THR . 16.4 m-20 -56.0 143.2 33.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 72.33 110.864 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -137.77 25.41 2.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 64.51 110.904 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 t -70.67 -17.54 62.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 61.22 110.822 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -40.2 82.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 55.13 110.796 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -164.35 120.24 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 73.23 110.89 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -54.73 -28.11 45.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.803 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.86 29.89 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.881 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.0 p -100.2 -27.31 13.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 52.44 110.914 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.5 m -56.21 141.34 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.865 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.7 m -53.48 173.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.83 114.12 15.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 71.24 110.903 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.5 -150.42 2.68 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.69 -0.766 . . . . 61.44 112.509 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -99.96 -63.67 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.763 0.316 . . . . 51.53 110.809 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 ttt -104.95 -27.48 11.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -117.43 122.28 43.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 70.04 110.868 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -100.25 143.9 29.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.14 110.859 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -77.36 128.88 35.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 64.3 110.953 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 m -108.8 161.79 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 74.2 111.148 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.7 m -85.12 120.47 26.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.856 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.34 129.03 48.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 73.02 110.869 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.5 m -100.0 137.13 38.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.864 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -145.19 175.47 10.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 64.44 110.869 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.682 0.753 . . . . 70.02 110.885 -179.843 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.941 0.401 . . . . 72.24 110.868 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.6 t -102.39 124.55 56.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 72.44 111.121 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.2 m -102.03 111.1 23.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.888 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 p -124.89 174.01 8.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 73.25 110.869 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.446 ' SG ' HG22 ' A' ' 5' ' ' THR . 58.0 m -81.09 125.72 30.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 71.34 110.889 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -124.67 156.61 37.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.555 HE21 HD13 ' A' ' 7' ' ' LEU . 2.9 mt-30 -106.92 85.59 1.99 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.616 0.722 . . . . 45.04 110.948 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 70.04 112.363 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.894 0.378 . . . . 43.11 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.456 HG22 ' SG ' ' A' ' 44' ' ' CYS . 28.9 m -108.96 86.35 3.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.69 . . . . 71.25 111.145 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -167.41 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.688 2.258 . . . . 74.12 112.374 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.603 HD11 ' N ' ' A' ' 46' ' ' GLN . 0.5 OUTLIER -68.25 157.11 36.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.421 . . . . 74.42 110.932 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.6 mt 63.55 28.44 15.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.129 -0.487 . . . . 72.32 110.935 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -134.05 138.51 45.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 73.35 110.796 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.33 145.56 21.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.883 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 p -140.03 22.14 2.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 64.51 110.894 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 t -54.1 -27.6 34.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 61.22 110.855 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -59.75 -46.32 89.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 55.13 110.872 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.11 118.86 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.849 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -56.12 -24.93 43.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.872 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -103.65 26.89 7.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.836 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.2 t -99.84 -23.35 14.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.996 0.427 . . . . 52.44 110.887 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.5 m -52.87 151.95 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 71.45 110.862 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.9 m -52.86 173.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.873 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -130.56 169.22 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 71.24 110.839 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.13 -175.22 19.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.675 -0.774 . . . . 61.44 112.44 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -88.83 -25.83 21.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 51.53 110.845 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.9 ttp -91.11 -66.46 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 74.21 110.866 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -143.7 154.73 43.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 70.04 110.874 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -99.63 139.25 35.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.861 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -58.17 142.46 47.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 64.3 110.96 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -109.3 135.11 49.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 74.2 111.176 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 t -73.88 104.63 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.945 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.38 142.4 32.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 73.02 110.859 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 71.2 m -116.01 138.67 51.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.889 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -145.45 -175.9 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 64.44 110.829 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 121.671 0.748 . . . . 70.02 110.904 -179.881 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.92 0.391 . . . . 72.24 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 t -82.73 118.8 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 72.44 111.157 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.3 m -111.51 114.77 28.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 73.22 110.939 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.6 p -130.16 170.1 14.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 73.25 110.848 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 5' ' ' THR . 80.7 m -80.12 124.71 29.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 71.34 110.956 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -130.66 150.18 51.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 72.45 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.603 ' N ' HD11 ' A' ' 7' ' ' LEU . 5.3 pt20 -100.49 155.63 36.15 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.537 0.684 . . . . 45.04 110.905 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.731 2.287 . . . . 70.04 112.336 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.913 0.387 . . . . 43.11 110.848 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 9' ' ' HIS . 28.4 m -108.94 86.88 4.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.594 0.711 . . . . 71.25 111.133 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -165.82 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.708 2.272 . . . . 74.12 112.298 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.732 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -67.71 153.05 44.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.849 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.732 ' HG ' HD23 ' A' ' 7' ' ' LEU . 9.9 mt 66.13 33.28 7.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 72.32 110.884 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.559 ' HB3' HG23 ' A' ' 5' ' ' THR . 16.0 m-70 -135.62 138.35 42.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.86 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -51.05 141.61 13.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.835 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 p -130.44 12.17 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 64.51 110.908 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t -62.56 -22.34 66.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.452 . . . . 61.22 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -69.45 -42.04 75.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 55.13 110.849 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -165.22 122.01 1.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.903 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -22.01 66.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.923 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -99.31 5.6 46.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.896 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.8 t -81.37 -27.93 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 52.44 110.851 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.1 m -53.56 141.22 26.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 71.45 110.858 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.0 m -52.25 172.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.926 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.25 155.4 46.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 71.24 110.862 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.92 165.9 26.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 61.44 112.456 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -82.29 -17.13 46.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.815 0.34 . . . . 51.53 110.907 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.6 mtt -89.9 -65.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.856 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -141.04 151.59 44.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.879 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.58 140.21 29.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.893 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -72.81 128.18 34.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 64.3 110.901 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.9 m -108.02 164.95 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 74.2 111.164 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.4 125.65 35.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.905 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.33 125.24 34.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 73.02 110.893 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.1 m -99.96 138.81 36.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.853 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -145.2 176.5 9.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 64.44 110.877 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.716 0.769 . . . . 70.02 110.875 -179.849 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.841 0.353 . . . . 72.24 110.859 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -102.67 124.09 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 72.44 111.05 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.1 m -102.95 119.22 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 73.22 110.894 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.1 p -129.46 176.21 8.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 73.25 110.812 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.3 m -80.87 117.8 21.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 71.34 110.851 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -127.5 159.12 35.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 72.45 110.914 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.502 HE21 HD13 ' A' ' 7' ' ' LEU . 2.8 mt-30 -83.86 159.62 60.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.718 . . . . 45.04 110.908 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.273 . . . . 70.04 112.324 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.902 0.382 . . . . 43.11 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.8 m -109.15 86.68 4.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.555 0.693 . . . . 71.25 111.097 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -167.43 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.728 2.286 . . . . 74.12 112.377 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.733 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -67.34 154.33 41.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 74.42 110.921 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.733 ' HG ' HD23 ' A' ' 7' ' ' LEU . 12.8 mt 65.13 30.47 11.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.85 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.508 ' HB3' HG23 ' A' ' 5' ' ' THR . 6.2 m-70 -135.48 137.47 42.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 73.35 110.84 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.442 ' O ' HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -53.61 143.66 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.866 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.8 p -134.58 20.23 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 64.51 110.906 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -22.22 66.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 61.22 110.857 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -62.98 -41.71 99.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 55.13 110.858 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.13 121.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 73.23 110.838 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -53.42 -31.29 44.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.86 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -100.35 31.78 3.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.859 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.0 t -99.96 -25.29 14.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 52.44 110.886 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.1 m -58.17 143.17 45.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 71.45 110.894 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.0 m -51.73 170.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.854 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -132.27 158.56 41.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 71.24 110.895 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.33 -158.73 9.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.712 -0.756 . . . . 61.44 112.468 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -99.77 -29.48 12.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.708 0.29 . . . . 51.53 110.801 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.4 ttp -89.34 -63.39 1.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 74.21 110.883 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -146.89 156.13 42.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 70.04 110.95 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -95.91 147.98 23.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 73.14 110.916 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -59.41 146.58 39.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 64.3 110.949 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 m -106.38 143.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 74.2 111.146 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -81.58 108.14 14.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.894 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.66 123.09 45.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 73.02 110.885 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.0 m -101.49 138.7 38.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 73.42 110.835 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -145.7 -171.48 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.933 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.676 0.75 . . . . 70.02 110.905 -179.853 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.923 0.392 . . . . 72.24 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 t -96.05 117.14 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 72.44 111.117 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.5 m -113.11 121.24 43.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.883 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.8 p -129.99 170.45 13.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.901 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.449 ' SG ' HG22 ' A' ' 5' ' ' THR . 67.6 m -80.58 119.54 23.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.899 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -127.97 161.86 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 72.45 110.882 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.595 ' NE2' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -83.62 159.43 61.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.517 0.675 . . . . 45.04 110.978 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.168 0 C-N-CA 122.713 2.275 . . . . 70.04 112.346 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.887 0.375 . . . . 43.11 110.906 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.561 HG23 ' HB3' ' A' ' 9' ' ' HIS . 28.7 m -108.93 87.14 4.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 71.25 111.202 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -167.39 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.695 2.263 . . . . 74.12 112.286 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.621 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -67.15 153.12 44.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.869 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.621 ' HG ' HD23 ' A' ' 7' ' ' LEU . 11.6 mt 66.12 29.28 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.986 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.561 ' HB3' HG23 ' A' ' 5' ' ' THR . 7.5 m-70 -135.21 136.98 42.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.901 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.428 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -59.02 143.7 47.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 72.33 110.853 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -134.11 22.51 3.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 64.51 110.836 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.3 t -56.28 -24.65 44.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 61.22 110.749 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -59.16 -42.73 91.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 55.13 110.829 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -165.38 123.94 1.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.86 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -33.91 35.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.876 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -99.59 35.65 1.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 74.45 110.885 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 t -100.44 -29.48 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 52.44 110.829 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 61.2 m -51.59 149.87 4.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 71.45 110.893 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.9 m -57.46 -176.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.859 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -129.31 -39.52 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 71.24 110.877 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.98 164.81 0.51 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.752 -0.737 . . . . 61.44 112.438 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -86.44 -17.75 33.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 51.53 110.881 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.1 mmt -89.95 -72.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.87 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -139.8 155.85 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 70.04 110.872 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -96.34 134.05 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 73.14 110.885 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -73.69 145.04 45.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 64.3 110.927 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.6 m -106.48 135.22 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 74.2 111.122 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 3.1 m -72.51 108.96 5.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 74.43 110.931 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.15 139.01 43.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 73.02 110.86 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.6 m -114.41 139.69 49.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.913 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -145.5 -170.92 3.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 64.44 110.857 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.687 0.756 . . . . 70.02 110.868 -179.844 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.929 0.395 . . . . 72.24 110.834 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 t -86.32 116.71 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 72.44 111.11 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 76.6 m -111.21 113.81 26.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 73.22 110.975 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.8 p -129.82 167.78 17.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 73.25 110.87 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.43 ' SG ' HG22 ' A' ' 5' ' ' THR . 68.9 m -80.78 123.99 28.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 71.34 110.854 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -129.14 163.22 25.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.941 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.618 ' NE2' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -85.5 159.62 55.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 45.04 110.862 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 70.04 112.332 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.958 0.409 . . . . 43.11 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.521 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.3 m -108.86 86.65 3.92 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.586 0.708 . . . . 71.25 111.176 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -166.59 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.659 2.24 . . . . 74.12 112.329 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.572 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -67.91 156.69 36.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 74.42 110.919 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.572 ' HG ' HD23 ' A' ' 7' ' ' LEU . 15.1 mt 63.61 30.72 14.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.945 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.521 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.4 m-70 -135.05 139.1 44.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.904 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.448 ' O ' HG21 ' A' ' 5' ' ' THR . 17.8 m-20 -53.74 147.21 12.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 72.33 110.849 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.3 p -140.23 23.51 2.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 64.51 110.902 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.2 t -57.79 -34.03 69.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 61.22 110.863 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -59.29 -42.92 92.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 55.13 110.841 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -165.2 122.33 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.836 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -22.11 66.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.892 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -99.55 5.59 46.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.816 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.0 t -79.49 -24.15 42.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 52.44 110.867 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.4 m -51.48 153.58 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 71.45 110.826 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.7 m -57.87 -174.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 74.11 110.857 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -129.58 -46.57 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 71.24 110.874 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.6 163.09 0.33 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 61.44 112.484 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.41 -12.17 49.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 51.53 110.892 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.9 mtp -89.66 -72.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.891 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -144.34 154.56 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 70.04 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -92.18 136.55 33.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.862 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -79.91 140.5 36.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 64.3 110.959 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.11 138.36 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 74.2 111.144 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -70.65 124.0 23.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 74.43 110.906 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.1 135.58 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 73.02 110.878 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.7 m -106.41 140.65 38.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.875 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -145.49 170.43 16.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 64.44 110.855 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.65 0.738 . . . . 70.02 110.997 -179.902 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.869 0.366 . . . . 72.24 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.2 t -104.16 125.1 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 72.44 111.109 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.0 m -111.18 115.88 30.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.897 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.0 p -128.95 170.7 13.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.824 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.418 ' SG ' HG22 ' A' ' 5' ' ' THR . 74.6 m -80.66 119.9 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 71.34 110.809 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -123.2 150.21 43.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 72.45 110.921 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.558 ' N ' HD11 ' A' ' 7' ' ' LEU . 5.2 pt20 -99.16 154.71 37.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.526 0.679 . . . . 45.04 110.961 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 70.04 112.344 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.924 0.392 . . . . 43.11 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.547 HG23 ' HB3' ' A' ' 9' ' ' HIS . 31.5 m -108.98 86.14 3.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 71.25 111.215 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -166.67 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.678 2.252 . . . . 74.12 112.374 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.686 HD23 ' HG ' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -67.55 155.19 39.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.931 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.686 ' HG ' HD23 ' A' ' 7' ' ' LEU . 13.0 mt 64.8 31.16 11.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 72.32 110.916 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.547 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.7 m-70 -135.12 139.16 44.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 73.35 110.88 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.454 ' O ' HG21 ' A' ' 5' ' ' THR . 6.5 m-20 -52.96 146.73 10.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 72.33 110.851 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.3 p -140.28 26.86 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 64.51 110.856 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 p -71.73 -24.31 61.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 61.22 110.831 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -62.97 -46.4 87.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 55.13 110.874 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -162.51 119.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.838 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -57.31 -23.63 49.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.853 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -99.48 25.71 6.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.801 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.5 t -100.34 -29.33 12.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 52.44 110.887 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.5 m -51.68 143.36 12.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 71.45 110.923 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.1 m -52.02 170.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 74.11 110.94 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -131.38 169.47 15.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 71.24 110.877 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.02 -172.43 16.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.695 -0.764 . . . . 61.44 112.457 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -94.6 -25.3 16.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 51.53 110.857 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.8 mtm -90.2 -66.78 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 74.21 110.877 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -143.47 151.4 40.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 70.04 110.893 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -94.16 151.56 19.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 73.14 110.854 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -69.64 142.68 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 64.3 110.903 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -111.86 138.15 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.2 111.095 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.11 131.02 43.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.43 110.881 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.39 121.5 27.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 73.02 110.887 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 63.5 m -99.46 142.44 30.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.882 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -146.09 159.48 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 64.44 110.895 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 70.02 110.967 -179.9 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.932 0.396 . . . . 72.24 110.913 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.9 t -86.14 114.86 26.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 72.44 111.133 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.0 m -107.22 115.25 29.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 73.22 110.848 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.6 p -124.48 169.33 11.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.838 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.32 120.32 24.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 71.34 110.925 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -127.7 152.32 47.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 72.45 110.848 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -101.48 156.66 34.9 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 45.04 110.892 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.235 . . . . 70.04 112.384 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.8 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.895 0.378 . . . . 43.11 110.915 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.576 HG23 ' HB3' ' A' ' 9' ' ' HIS . 27.0 m -131.39 90.09 38.92 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.575 0.702 . . . . 71.25 111.183 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -165.53 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.703 2.268 . . . . 74.12 112.346 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.739 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -68.77 152.8 44.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.86 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.739 ' HG ' HD23 ' A' ' 7' ' ' LEU . 14.7 mt 65.02 32.25 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 72.32 110.967 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.576 ' HB3' HG23 ' A' ' 5' ' ' THR . 14.1 m-70 -135.28 141.0 45.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.901 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.569 ' O ' HG21 ' A' ' 5' ' ' THR . 11.2 m-20 -51.72 132.91 31.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.852 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 p -118.26 12.99 13.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 64.51 110.91 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 p -60.2 -20.45 58.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 61.22 110.831 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -69.82 -50.56 41.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 55.13 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.19 121.84 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 73.23 110.865 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -24.2 67.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.881 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -99.23 5.54 46.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.84 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -90.05 -25.66 20.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 52.44 110.857 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.1 m -52.19 142.48 16.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 71.45 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.4 m -50.66 168.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 74.11 110.895 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -129.89 149.64 51.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 71.24 110.914 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.52 -159.29 18.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 61.44 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -98.54 -25.48 14.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 51.53 110.872 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.0 mtm -92.07 -70.52 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.883 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -136.67 162.7 32.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 70.04 110.819 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -92.21 144.71 25.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 73.14 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -68.39 144.42 54.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 64.3 110.981 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -107.66 173.2 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 74.2 111.094 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.63 130.37 39.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 74.43 110.885 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.42 119.06 23.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 73.02 110.799 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.9 m -99.53 141.53 32.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 73.42 110.88 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -145.25 172.31 13.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 64.44 110.886 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 70.02 110.947 -179.914 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.91 0.386 . . . . 72.24 110.914 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.1 t -119.65 129.74 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 72.44 111.159 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.1 m -112.08 124.17 51.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.22 110.9 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.9 p -130.28 173.09 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 73.25 110.894 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.427 ' SG ' HG22 ' A' ' 5' ' ' THR . 27.4 m -80.73 123.15 27.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 71.34 110.918 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -131.93 157.64 43.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 72.45 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.582 ' NE2' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -82.27 159.61 64.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.544 0.688 . . . . 45.04 111.001 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 70.04 112.322 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.935 0.398 . . . . 43.11 110.811 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.431 HG22 ' SG ' ' A' ' 44' ' ' CYS . 30.5 m -109.0 87.62 4.82 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.566 0.698 . . . . 71.25 111.085 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -168.18 0.26 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.685 2.257 . . . . 74.12 112.291 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.586 HD11 ' N ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -67.04 159.8 27.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.918 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.404 ' HG ' HD23 ' A' ' 7' ' ' LEU . 28.5 mt 55.95 30.62 16.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 72.32 110.905 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -132.5 141.26 48.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 73.35 110.854 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -62.91 140.08 58.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.854 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.2 p -135.91 28.86 3.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 64.51 110.876 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.6 t -59.65 -26.83 65.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 61.22 110.881 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -62.89 -36.1 82.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 55.13 110.818 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.85 123.06 1.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 73.23 110.867 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -64.61 -17.14 63.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.843 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -107.44 3.75 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.853 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 t -74.5 -23.04 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 52.44 110.879 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 55.8 m -51.69 140.87 17.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 71.45 110.865 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.8 m -51.23 169.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.886 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -132.61 171.46 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 71.24 110.903 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.43 -170.77 15.9 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.697 -0.763 . . . . 61.44 112.456 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -97.92 -24.7 15.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.747 0.308 . . . . 51.53 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.2 mtm -90.32 -68.94 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.85 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -136.77 150.77 48.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 70.04 110.849 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -99.88 139.87 34.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 73.14 110.922 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -66.1 149.5 50.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 64.3 110.877 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.3 m -115.44 129.65 71.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.038 -0.528 . . . . 74.2 111.091 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 7.1 m -74.12 105.03 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.928 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.37 143.8 30.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 73.02 110.911 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 70.9 m -113.95 139.69 49.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.881 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -145.63 -173.45 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 70.02 110.955 -179.84 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.918 0.39 . . . . 72.24 110.831 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.6 t -85.15 116.38 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 72.44 111.107 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.8 m -110.87 114.33 27.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.927 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.5 p -128.48 166.76 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 73.25 110.864 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.431 ' SG ' HG22 ' A' ' 5' ' ' THR . 61.3 m -81.13 120.25 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 71.34 110.912 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -123.89 150.26 44.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 72.45 110.969 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.586 ' N ' HD11 ' A' ' 7' ' ' LEU . 5.5 pt20 -100.38 155.68 36.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 45.04 110.873 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.142 0 C-N-CA 122.739 2.293 . . . . 70.04 112.358 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.857 0.36 . . . . 43.11 110.93 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.511 HG23 ' HB3' ' A' ' 9' ' ' HIS . 29.0 m -108.73 87.59 4.56 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.561 0.696 . . . . 71.25 111.135 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -167.75 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.708 2.272 . . . . 74.12 112.288 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.66 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -67.32 154.36 41.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.913 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.66 ' HG ' HD23 ' A' ' 7' ' ' LEU . 12.2 mt 63.93 29.91 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 72.32 110.981 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.511 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.0 m-70 -134.63 139.24 45.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.35 110.837 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -60.51 142.05 55.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.847 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.8 p -139.66 28.18 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 64.51 110.88 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 p -62.08 -24.6 67.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 61.22 110.821 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -59.61 -39.66 84.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 55.13 110.884 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.21 120.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.855 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -54.37 -28.63 44.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.86 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.54 30.67 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 74.45 110.843 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 p -99.53 -26.29 14.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 52.44 110.841 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 62.0 m -53.74 149.62 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.868 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.7 m -58.49 -172.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 74.11 110.809 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -128.04 -6.75 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.846 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.4 172.89 0.39 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 61.44 112.526 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -73.93 -48.35 31.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 51.53 110.862 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.9 ttp -124.6 -36.18 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.852 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -100.22 128.8 46.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.429 . . . . 70.04 110.836 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.15 131.75 44.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 73.14 110.894 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -81.32 145.88 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 64.3 110.932 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 m -117.85 136.29 55.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.11 -0.495 . . . . 74.2 111.112 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 4.0 m -70.57 119.66 15.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.939 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.31 138.07 54.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 73.02 110.855 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.8 m -113.2 141.25 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 73.42 110.913 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -145.82 -170.8 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 64.44 110.878 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.631 0.729 . . . . 70.02 110.933 -179.786 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.929 0.395 . . . . 72.24 110.913 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 t -133.83 119.75 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 72.44 111.102 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.6 m -105.09 110.95 23.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.884 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 p -129.95 165.55 21.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 73.25 110.842 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.43 ' SG ' HG22 ' A' ' 5' ' ' THR . 68.2 m -80.55 123.12 27.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 71.34 110.883 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -125.76 151.28 46.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.904 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.585 ' N ' HD11 ' A' ' 7' ' ' LEU . 4.5 pt20 -100.07 154.68 37.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 45.04 110.951 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.272 . . . . 70.04 112.334 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.938 0.399 . . . . 43.11 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.6 m -109.01 86.05 3.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.567 0.698 . . . . 71.25 111.145 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -165.61 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 74.12 112.387 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.692 HD23 ' HG ' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -67.85 155.77 38.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.922 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.692 ' HG ' HD23 ' A' ' 7' ' ' LEU . 10.1 mt 66.24 30.6 9.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 72.32 110.945 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.476 ' HB3' HG23 ' A' ' 5' ' ' THR . 35.4 m-70 -135.47 138.52 43.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 73.35 110.785 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -52.8 147.73 8.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 72.33 110.919 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 p -139.01 19.01 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 64.51 110.901 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.9 t -56.62 -26.95 57.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 61.22 110.838 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -65.87 -43.08 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 55.13 110.794 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.95 118.39 2.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.419 . . . . 73.23 110.823 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -61.51 -17.87 56.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.862 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -115.0 25.83 10.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 74.45 110.875 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.8 t -96.91 -22.14 17.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 52.44 110.87 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.0 m -52.14 158.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 71.45 110.855 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.1 m -57.74 -174.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.868 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.49 -41.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 71.24 110.871 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.63 164.7 0.31 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.763 . . . . 61.44 112.458 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.19 -13.91 54.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 51.53 110.905 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.7 mtm -90.18 -72.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.835 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -147.87 155.02 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.924 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -88.76 138.1 31.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.9 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -77.53 142.89 38.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 64.3 110.898 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.0 m -109.8 139.66 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 74.2 111.155 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.18 121.73 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.927 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.93 130.45 52.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 73.02 110.867 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.6 m -106.4 137.02 45.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 73.42 110.808 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -145.24 170.55 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 64.44 110.882 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.668 0.747 . . . . 70.02 110.878 -179.836 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.855 0.359 . . . . 72.24 110.848 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.4 t -94.9 120.85 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 72.44 111.154 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.1 m -107.15 114.3 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.22 110.878 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 p -126.47 168.36 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 73.25 110.884 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.41 ' SG ' HG22 ' A' ' 5' ' ' THR . 83.3 m -80.04 119.74 23.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 71.34 110.868 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -129.02 152.5 48.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.954 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -101.12 156.6 34.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 45.04 110.931 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.747 2.298 . . . . 70.04 112.329 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.855 0.36 . . . . 73.22 111.092 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -78.06 -53.63 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.901 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.98 144.01 54.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 53.13 111.09 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -84.22 -170.42 3.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 43.11 110.899 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.444 HG22 ' SG ' ' A' ' 44' ' ' CYS . 30.3 m -109.14 86.22 3.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 71.25 111.124 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -169.23 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.7 2.267 . . . . 74.12 112.346 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.641 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -67.34 154.69 40.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.932 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.641 ' HG ' HD23 ' A' ' 7' ' ' LEU . 25.6 mt 62.57 29.44 16.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.959 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -133.66 140.36 47.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.82 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.58 140.07 57.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.876 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.7 p -132.19 26.79 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 64.51 110.924 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.3 t -60.59 -27.54 67.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 61.22 110.867 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -60.84 -34.73 75.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 55.13 110.821 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.98 121.25 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.86 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -60.97 -18.31 56.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.21 110.896 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -116.41 26.97 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 74.45 110.821 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -94.66 -20.16 19.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 52.44 110.827 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.2 m -51.28 143.63 10.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.838 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.8 m -51.39 169.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.898 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -130.8 158.05 41.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.87 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.94 -174.17 13.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.786 -0.721 . . . . 61.44 112.56 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -88.24 -36.4 16.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 51.53 110.871 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.6 mtm -90.15 -72.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.901 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -127.61 148.97 50.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 70.04 110.913 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 171.02 8.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 73.14 110.863 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -87.73 139.39 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 64.3 110.883 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -109.78 132.45 57.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 74.2 111.116 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 m -70.49 128.89 37.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.9 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.71 131.86 46.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.02 110.881 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 64.7 m -104.6 140.9 37.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.865 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -145.54 170.12 17.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 64.44 110.847 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -110.4 82.23 2.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.716 0.769 . . . . 70.02 110.898 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 70.29 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 63.12 112.385 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 63.84 26.31 14.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 60.11 110.912 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.54 34.18 1.62 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.752 . . . . 75.12 112.484 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -62.49 -20.44 64.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 74.34 110.876 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -95.21 -16.95 22.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.861 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -99.89 -68.44 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 71.11 110.93 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -160.12 162.99 34.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 73.54 111.152 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -106.16 145.73 31.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 72.24 110.912 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 82.8 t -106.32 127.96 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.44 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.0 m -112.25 113.35 25.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.849 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.4 p -123.93 167.8 13.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.9 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' SG ' HG22 ' A' ' 5' ' ' THR . 69.1 m -80.61 124.52 29.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.889 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -124.7 150.46 46.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.45 110.95 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.568 ' N ' HD11 ' A' ' 7' ' ' LEU . 5.1 pt20 -100.02 154.62 37.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 45.04 110.897 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -175.45 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.65 2.233 . . . . 70.04 112.368 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -156.08 178.33 10.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 62.52 110.94 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.29 22.02 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 63.41 110.861 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 52.05 48.07 23.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.87 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -159.94 97.47 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.9 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.0 mm -117.21 -15.62 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 74.13 111.136 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.58 100.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 55.45 111.04 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -128.15 29.18 5.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 72.24 110.915 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -149.35 88.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.942 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.8 pt -147.86 28.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 63.5 111.158 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mp -60.23 -39.25 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 64.52 111.093 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -91.52 166.64 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.862 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -92.28 170.17 10.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.892 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.91 116.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 73.53 111.095 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.8 55.83 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.903 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.4 t -157.97 140.63 14.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 55.23 111.127 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 m -56.14 118.42 4.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 72.34 111.135 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 73.05 110.889 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.708 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.838 0.352 . . . . 73.22 111.105 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -101.1 -44.24 5.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 75.41 110.924 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.37 17.2 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 53.13 111.039 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.708 ' HB3' ' HB3' ' A' ' 1' ' ' ALA . 27.4 p -72.76 -170.65 0.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 43.11 110.899 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.17 86.44 4.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.601 0.715 . . . . 71.25 111.126 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -169.27 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.765 2.31 . . . . 74.12 112.33 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.632 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -68.08 152.32 45.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.924 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.632 ' HG ' HD23 ' A' ' 7' ' ' LEU . 16.0 mt 64.23 29.72 13.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.917 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -132.6 140.82 48.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 73.35 110.852 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.3 129.59 40.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.888 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -123.23 25.6 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 64.51 110.894 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.2 t -53.22 -28.33 26.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 61.22 110.913 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -59.6 -35.84 75.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 55.13 110.85 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.27 120.22 1.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.892 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -61.04 -18.21 56.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 74.21 110.923 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -116.09 27.1 9.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 74.45 110.854 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -97.18 -17.4 19.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 52.44 110.865 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 67.2 m -51.41 144.61 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 71.45 110.851 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.4 m -51.05 168.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.905 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 ptt85 -134.88 166.0 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 71.24 110.876 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.12 -166.56 11.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 61.44 112.463 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -78.19 -30.33 48.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 51.53 110.818 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 44.1 mtm -92.4 -72.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.868 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -144.24 159.14 43.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 70.04 110.85 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -95.41 157.89 15.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 73.14 110.885 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.79 161.25 15.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 64.3 110.872 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 m -111.3 129.4 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 74.2 111.126 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 3.1 m -75.5 107.04 7.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.847 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.22 142.95 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.02 110.88 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.2 m -116.31 139.5 50.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -145.58 -172.87 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 64.44 110.877 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -121.4 151.9 57.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.687 0.756 . . . . 70.02 110.921 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.82 14.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 63.12 112.341 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 65.47 27.63 11.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 60.11 110.92 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.15 -55.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 75.12 112.533 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -100.35 97.73 8.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.874 0.369 . . . . 74.34 110.832 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -84.31 54.02 2.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 75.13 110.844 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.01 -20.74 10.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.853 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -155.05 144.77 21.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 73.54 111.122 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -96.49 128.76 43.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.846 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.5 t -82.26 115.5 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 72.44 111.126 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.81 112.74 24.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 73.22 110.865 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.8 p -129.25 165.98 20.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 73.25 110.879 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.8 m -80.54 124.57 29.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 71.34 110.903 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -126.97 162.36 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 72.45 110.877 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.569 HE21 HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -86.22 159.27 54.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 45.04 110.9 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -175.44 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.266 . . . . 70.04 112.332 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -51.92 108.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 62.52 110.855 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.2 -171.17 3.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 63.41 110.921 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.73 -167.96 2.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 74.44 110.826 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.93 40.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.875 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.2 mt -118.92 124.88 73.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.182 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 57.44 39.56 27.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 55.45 111.13 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -118.73 25.17 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 72.24 110.909 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -118.0 155.72 29.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 74.44 110.867 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.0 pt -126.35 171.65 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 63.5 111.132 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -108.08 135.5 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 64.52 111.144 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.65 139.01 58.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 75.13 110.851 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -80.96 78.49 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 73.11 110.924 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.38 151.82 32.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 73.53 111.165 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -55.34 124.41 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 74.1 110.866 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.62 90.43 8.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 55.23 111.108 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.52 161.62 9.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 72.34 111.132 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.2 tt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.05 110.952 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.798 0.332 . . . . 73.22 111.078 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -127.96 158.65 37.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 75.41 110.898 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.97 149.69 35.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 53.13 111.082 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -96.74 -170.45 2.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 43.11 110.928 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 9' ' ' HIS . 28.3 m -109.12 86.77 4.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.712 . . . . 71.25 111.184 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -167.04 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.712 2.274 . . . . 74.12 112.371 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.735 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -68.28 152.98 44.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.937 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.735 ' HG ' HD23 ' A' ' 7' ' ' LEU . 18.9 mt 64.25 29.63 13.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.464 . . . . 72.32 110.919 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.505 ' HB3' HG23 ' A' ' 5' ' ' THR . 2.9 m-70 -132.47 138.91 47.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 73.35 110.816 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.95 136.66 58.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.818 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -127.37 18.18 6.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 64.51 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.1 t -54.37 -34.42 61.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 61.22 110.864 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -59.7 -34.02 72.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 55.13 110.851 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -164.2 118.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.865 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -66.29 -13.6 60.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.912 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -111.64 4.91 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.874 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.84 -21.21 51.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 52.44 110.875 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 35.1 m -51.95 139.76 21.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 71.45 110.821 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.3 m -51.16 169.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.921 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.03 160.12 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.861 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.22 -170.23 13.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.808 -0.711 . . . . 61.44 112.481 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -84.67 -37.54 20.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 51.53 110.868 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.6 mtt -89.99 -68.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.21 110.929 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -134.63 158.12 44.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 70.04 110.854 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.47 151.62 20.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.967 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -61.24 156.7 17.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 64.3 110.903 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 m -113.73 130.22 68.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.2 111.156 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 1.7 m -72.0 112.74 8.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.896 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.8 144.75 37.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.102 -0.499 . . . . 73.02 110.893 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.7 m -115.9 140.17 49.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.872 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -145.69 -177.25 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 64.44 110.867 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -135.07 150.85 74.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.726 0.774 . . . . 70.02 110.904 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -0.25 6.64 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.243 . . . . 63.12 112.352 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 71.12 30.21 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 60.11 110.892 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.67 -52.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 75.12 112.457 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -100.85 105.48 16.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 74.34 110.884 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -90.25 21.68 3.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -100.11 -15.23 18.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 71.11 110.934 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.4 m -145.85 130.65 18.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 73.54 111.113 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -106.6 129.31 54.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 72.24 110.89 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 t -83.06 118.23 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.44 111.119 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.1 m -112.56 112.07 23.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 73.22 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 p -128.2 171.0 12.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.816 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.413 ' SG ' HG22 ' A' ' 5' ' ' THR . 57.8 m -80.95 125.12 29.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 71.34 110.877 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -129.33 162.36 28.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.897 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.564 ' NE2' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -85.47 159.55 55.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.559 0.695 . . . . 45.04 110.861 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -175.48 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.622 2.215 . . . . 70.04 112.355 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.28 94.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 62.52 110.885 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 m -79.61 -170.46 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 63.41 110.86 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -53.96 -61.02 2.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 74.44 110.882 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.0 91.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.912 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 pt -116.82 -15.66 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 74.13 111.155 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -150.97 -67.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 55.45 111.091 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.82 39.24 17.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.858 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.4 mttm 52.09 45.99 27.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.918 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 56' ' ' ILE . 4.8 tt -69.84 121.62 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.418 . . . . 63.5 111.123 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.4 mm 51.76 81.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 64.52 111.13 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.1 150.79 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.848 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.16 150.3 48.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.892 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -153.73 155.1 35.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 73.53 111.059 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -116.28 172.5 7.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.917 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.14 145.73 50.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 55.23 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -79.67 -28.35 40.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 72.34 111.108 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.2 tt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.05 110.91 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.853 0.359 . . . . 73.22 111.135 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm 61.77 32.53 18.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 75.41 110.891 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.9 147.98 52.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 53.13 111.127 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p -91.3 -170.67 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 43.11 110.91 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.569 HG23 ' HB3' ' A' ' 9' ' ' HIS . 31.1 m -109.04 87.23 4.51 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.611 0.72 . . . . 71.25 111.137 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -165.83 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.72 2.28 . . . . 74.12 112.306 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.722 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -67.08 154.38 41.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 74.42 110.869 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.722 ' HG ' HD23 ' A' ' 7' ' ' LEU . 9.8 mt 66.25 31.34 8.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 72.32 110.985 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.569 ' HB3' HG23 ' A' ' 5' ' ' THR . 30.5 m-70 -135.81 135.04 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.803 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.444 ' O ' HG21 ' A' ' 5' ' ' THR . 11.7 m-20 -51.49 150.8 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 72.33 110.914 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -139.38 11.69 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 64.51 110.89 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.3 t -59.21 -27.84 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 61.22 110.85 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -66.18 -36.48 83.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 55.13 110.869 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -164.85 117.28 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -66.19 -13.11 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.878 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -111.25 19.59 18.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 74.45 110.858 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.17 -25.39 16.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 52.44 110.868 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.1 m -52.77 146.64 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 71.45 110.899 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.8 m -58.57 -172.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.944 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -129.04 -35.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 71.24 110.799 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.72 163.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 61.44 112.525 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -80.83 -11.88 59.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.833 0.349 . . . . 51.53 110.904 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.0 ttp -90.3 -76.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.845 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -150.45 147.7 27.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 70.04 110.909 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.82 154.41 18.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 73.14 110.889 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -90.7 145.01 25.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 64.3 110.937 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.83 138.56 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 74.2 111.154 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 m -70.43 134.23 47.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.919 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.43 119.97 23.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 73.02 110.851 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.4 m -100.63 134.31 43.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.945 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -145.23 170.2 16.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 64.44 110.866 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -110.76 81.84 2.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.685 0.755 . . . . 70.02 111.002 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 67.45 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 63.12 112.306 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 50.17 30.29 4.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 60.11 110.935 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.75 87.11 1.15 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.749 -0.739 . . . . 75.12 112.514 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -77.52 -42.14 36.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 74.34 110.938 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -100.43 -10.8 20.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 75.13 110.864 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -99.88 -167.19 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 71.11 110.822 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.0 t -123.26 -179.24 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 73.54 111.138 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -56.97 125.89 24.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 72.24 110.902 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.9 t -94.71 120.76 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 72.44 111.155 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.2 m -108.37 119.2 38.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.897 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.9 p -128.15 169.38 14.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.876 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.8 m -80.78 121.44 25.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.893 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -128.91 156.38 43.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 72.45 110.942 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.45 HE21 HD13 ' A' ' 7' ' ' LEU . 3.4 mt-30 -100.06 160.53 26.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.722 . . . . 45.04 110.89 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -175.53 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 70.04 112.361 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.84 130.24 44.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 62.52 110.875 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.4 p -139.71 54.74 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 63.41 110.916 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -146.9 56.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 74.44 110.853 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.79 36.73 0.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.429 . . . . 71.14 110.881 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 tt -176.57 -34.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.13 111.081 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.75 100.23 12.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 55.45 111.145 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.66 26.78 0.33 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 72.24 110.862 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -115.71 175.8 5.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.815 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 68.3 mt 60.33 78.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 63.5 111.088 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.53 117.87 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 64.52 111.153 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -158.25 97.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.842 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.87 122.21 3.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 73.11 110.853 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -176.6 58.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 73.53 111.152 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -110.33 88.23 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.1 110.905 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.2 m -119.47 109.65 15.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 55.23 111.163 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 t -125.88 147.63 49.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.096 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.2 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 73.05 110.895 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.828 0.347 . . . . 73.22 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -89.3 -36.68 15.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 75.41 110.887 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.76 18.87 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 53.13 111.071 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -61.79 -170.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 43.11 110.893 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 9' ' ' HIS . 33.1 m -109.24 86.21 3.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.55 0.69 . . . . 71.25 111.085 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -167.37 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.725 2.283 . . . . 74.12 112.282 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.669 HD23 ' HG ' ' A' ' 8' ' ' LEU . 1.1 tp -67.23 155.28 39.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 74.42 110.931 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.669 ' HG ' HD23 ' A' ' 7' ' ' LEU . 14.4 mt 64.98 30.37 11.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 72.32 110.867 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.523 ' HB3' HG23 ' A' ' 5' ' ' THR . 6.1 m-70 -135.35 138.61 43.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.862 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.418 ' O ' HG21 ' A' ' 5' ' ' THR . 12.7 m-20 -51.38 139.02 20.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.893 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -126.77 -0.52 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 64.51 110.878 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -29.02 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 61.22 110.906 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -60.4 -36.64 78.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 55.13 110.842 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -164.7 118.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.906 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -63.5 -16.0 59.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.876 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -115.61 24.18 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.85 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.28 -26.05 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 52.44 110.93 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.5 m -52.64 142.94 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 71.45 110.947 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.3 m -51.71 169.75 0.06 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 74.11 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -132.64 171.1 14.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 71.24 110.893 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.26 -147.31 5.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 61.44 112.549 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -95.68 -35.78 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 51.53 110.819 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -93.23 -66.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.923 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -144.23 160.34 41.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 70.04 110.9 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -94.75 166.81 11.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.979 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -64.1 154.89 33.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 64.3 110.937 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.51 145.62 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.2 111.075 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 m -77.08 128.12 33.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.03 117.98 23.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.02 110.856 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.1 m -99.36 124.57 44.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.885 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -145.88 -178.55 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.93 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -111.93 78.85 2.4 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.697 0.76 . . . . 70.02 110.94 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.444 ' HG2' HG21 ' A' ' 41' ' ' VAL . 53.3 Cg_endo -69.73 66.37 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.653 2.235 . . . . 63.12 112.365 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 50.15 30.41 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 60.11 110.849 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.56 80.01 0.2 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 75.12 112.483 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -100.3 79.37 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.345 . . . . 74.34 110.848 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -90.13 -74.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.827 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.3 -70.88 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 71.11 110.867 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.2 t -125.27 174.78 7.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 73.54 111.189 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -66.88 140.04 57.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 72.24 110.911 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.444 HG21 ' HG2' ' A' ' 33' ' ' PRO . 36.0 t -74.25 113.87 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 72.44 111.182 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.0 m -99.72 118.41 36.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.829 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.7 p -129.63 169.66 14.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.25 110.878 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 66.9 m -81.06 119.28 23.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.869 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -123.22 159.7 28.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 72.45 110.86 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -59.83 153.76 51.69 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.582 0.706 . . . . 45.04 110.95 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -175.44 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 70.04 112.327 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -151.45 37.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 62.52 110.882 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.91 3.24 5.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 63.41 110.902 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -173.86 124.11 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 74.44 110.855 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -146.91 -75.46 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 71.14 110.917 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.0 tp -117.97 -26.8 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 74.13 111.17 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -178.37 -37.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 55.45 111.124 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 58.59 63.47 1.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.906 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -115.49 -24.77 8.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.882 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.7 mt 62.65 92.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 63.5 111.146 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 pt -66.42 -23.7 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 64.52 111.129 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.66 106.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.84 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.36 105.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.922 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.24 -175.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 73.53 111.13 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -118.12 158.22 25.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.424 . . . . 74.1 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.53 174.21 5.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 55.23 111.14 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.31 169.75 17.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 72.34 111.142 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 73.05 110.916 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.878 0.371 . . . . 73.22 111.085 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -173.14 163.66 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.881 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.32 170.51 5.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 53.13 111.168 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.1 p -93.27 -170.89 2.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 43.11 110.851 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.536 HG23 ' HB3' ' A' ' 9' ' ' HIS . 28.2 m -108.98 87.16 4.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.538 0.685 . . . . 71.25 111.167 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -167.04 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.634 2.223 . . . . 74.12 112.334 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.743 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -67.69 152.5 45.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.938 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.743 ' HG ' HD23 ' A' ' 7' ' ' LEU . 18.1 mt 64.11 31.31 13.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.94 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.536 ' HB3' HG23 ' A' ' 5' ' ' THR . 3.2 m-70 -134.22 138.21 44.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.868 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.22 139.0 53.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 72.33 110.867 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -128.36 18.65 6.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 64.51 110.867 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -60.36 -30.99 69.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 61.22 110.866 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -60.06 -33.05 71.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 55.13 110.844 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -164.6 117.87 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.888 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -17.63 55.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.877 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -115.75 26.98 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 74.45 110.827 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -96.29 -21.93 17.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 52.44 110.91 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.1 m -52.26 140.09 22.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 71.45 110.903 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.2 m -52.66 172.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.862 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -131.57 161.53 32.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.833 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.98 -173.89 13.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 61.44 112.484 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -98.95 -23.9 15.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.843 0.354 . . . . 51.53 110.881 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.7 ttt -89.99 -61.53 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 74.21 110.887 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -142.55 151.14 41.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 70.04 110.836 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -98.13 140.78 31.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 73.14 110.932 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -66.86 139.31 57.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 64.3 110.927 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.6 m -112.44 134.64 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.2 111.16 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.4 m -71.69 113.92 9.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.913 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -115.42 130.94 57.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 73.02 110.856 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 78.2 m -105.88 123.14 47.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.85 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -145.66 166.06 26.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 64.44 110.888 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -111.92 145.91 33.69 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.656 0.741 . . . . 70.02 110.942 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 63.33 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.642 2.228 . . . . 63.12 112.377 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 49.94 25.61 1.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 60.11 110.964 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.38 128.59 1.19 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.678 -0.772 . . . . 75.12 112.462 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -87.29 89.02 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 74.34 110.901 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -97.23 -50.09 4.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.899 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -111.7 -76.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 71.11 110.92 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.22 -172.51 4.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 73.54 111.176 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -83.05 134.29 35.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 72.24 110.912 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 t -90.77 112.8 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.135 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.7 m -99.88 108.18 20.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.847 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 p -127.0 170.29 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.786 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.438 ' SG ' HG22 ' A' ' 5' ' ' THR . 58.8 m -80.96 116.88 21.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 71.34 110.859 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -122.89 158.77 29.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.923 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.526 HE21 HD13 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -84.25 159.26 59.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.572 0.701 . . . . 45.04 110.879 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -175.46 1.16 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.707 2.271 . . . . 70.04 112.304 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.81 77.28 1.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 62.52 110.837 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.7 m -154.12 155.08 34.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.882 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -145.46 -167.65 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.34 91.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 71.14 110.91 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.447 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 9.5 tp -159.53 138.12 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 74.13 111.185 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 52' ' ' ILE . . . 69.05 -77.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 55.45 111.003 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 59.68 84.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 72.24 110.862 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -129.96 130.77 45.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.91 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pt -151.32 108.08 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 63.5 111.156 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mp -85.89 -50.07 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 64.52 111.145 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -142.95 135.19 27.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.871 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.23 85.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 73.11 110.831 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -169.12 166.21 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.53 111.136 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.22 161.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 74.1 110.898 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 t 179.23 74.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 55.23 111.174 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.7 t -136.46 132.03 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 72.34 111.134 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 73.05 110.956 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.827 0.346 . . . . 73.22 111.131 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -104.45 108.85 20.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.936 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.25 16.47 5.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 53.13 111.077 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.3 p -69.41 -170.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 43.11 110.978 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.426 HG22 ' SG ' ' A' ' 44' ' ' CYS . 33.8 m -109.13 87.47 4.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.698 . . . . 71.25 111.127 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -169.12 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.702 2.268 . . . . 74.12 112.356 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.579 HD11 ' N ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -67.39 159.42 29.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.912 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.428 ' HG ' HD23 ' A' ' 7' ' ' LEU . 12.1 mt 56.44 28.65 13.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.32 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -130.12 141.84 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 73.35 110.865 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -61.35 138.23 58.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.831 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.4 p -134.7 26.85 3.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 64.51 110.967 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -63.8 -24.93 67.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 61.22 110.806 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -66.51 -30.74 71.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 55.13 110.913 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.17 120.19 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.857 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -65.35 -14.54 61.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.838 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -112.06 4.33 17.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.806 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -74.2 -21.46 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 52.44 110.913 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 35.0 m -52.24 139.57 23.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 71.45 110.868 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.6 m -51.91 166.04 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.506 . . . . 74.11 110.946 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 126.37 38.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 71.24 110.877 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.08 -148.66 6.09 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.744 -0.741 . . . . 61.44 112.491 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -100.03 -45.33 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 51.53 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 ttm -89.33 -61.56 1.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.862 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -131.97 154.0 49.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 70.04 110.883 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.39 159.37 15.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 73.14 110.942 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -67.49 156.19 37.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.304 -0.407 . . . . 64.3 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -114.59 133.04 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 74.2 111.179 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 7.9 m -73.96 119.7 18.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.809 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.08 141.76 51.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 73.02 110.801 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.9 m -112.87 130.97 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.853 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -146.21 177.47 8.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.862 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -111.67 80.11 2.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.73 0.776 . . . . 70.02 110.943 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 65.19 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.615 2.21 . . . . 63.12 112.388 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 46.93 31.12 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 60.11 110.912 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.0 80.16 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 75.12 112.453 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -100.17 73.48 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 74.34 110.883 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -64.41 -73.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.842 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -112.41 -35.91 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 71.11 110.905 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.482 HG22 ' OE2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -159.34 167.22 29.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 73.54 111.209 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.482 ' OE2' HG22 ' A' ' 39' ' ' THR . 1.6 pm0 -57.28 141.17 47.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 72.24 110.813 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.5 t -74.49 118.59 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 72.44 111.12 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.3 m -99.55 110.61 23.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.857 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 p -128.92 169.05 15.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 73.25 110.942 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.426 ' SG ' HG22 ' A' ' 5' ' ' THR . 77.3 m -80.64 122.74 27.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.899 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -124.17 149.37 46.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 72.45 110.933 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.579 ' N ' HD11 ' A' ' 7' ' ' LEU . 5.8 pt20 -100.13 155.86 35.94 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.599 0.714 . . . . 45.04 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -175.26 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 70.04 112.342 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.43 175.54 7.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 62.52 110.885 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.1 m -142.54 140.41 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 63.41 110.863 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -120.69 32.38 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.837 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -141.98 26.61 1.86 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 71.14 110.836 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.2 pt -141.63 149.53 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 74.13 111.068 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 53.15 36.09 21.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 55.45 111.127 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.29 95.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 72.24 110.847 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -165.68 130.09 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 74.44 110.916 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.6 mt -76.48 123.08 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 63.5 111.084 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mt -88.17 129.38 39.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.12 -0.491 . . . . 64.52 111.131 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.44 144.34 57.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.895 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -57.18 -65.26 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 73.11 110.937 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.77 149.69 3.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 73.53 111.123 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.49 110.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.278 -0.419 . . . . 74.1 110.86 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.35 153.07 16.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 55.23 111.084 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.77 160.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 72.34 111.132 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 73.05 110.906 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.869 0.366 . . . . 73.22 111.106 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.65 101.07 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 75.41 110.885 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.36 16.62 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 53.13 111.095 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.9 p -66.47 -170.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 43.11 110.821 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 9' ' ' HIS . 31.2 m -109.08 86.36 3.91 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.535 0.683 . . . . 71.25 111.17 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -166.26 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.662 2.241 . . . . 74.12 112.356 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.724 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -68.07 153.91 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.935 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.724 ' HG ' HD23 ' A' ' 7' ' ' LEU . 10.6 mt 65.5 32.48 9.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.92 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.523 ' HB3' HG23 ' A' ' 5' ' ' THR . 8.8 m-70 -135.21 136.12 41.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.35 110.913 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.95 146.72 8.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.875 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 p -140.35 18.68 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 64.51 110.837 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t -62.15 -42.97 99.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 61.22 110.862 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -59.46 -31.68 69.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 55.13 110.865 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.16 97.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.82 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptt85 -62.75 -19.23 63.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.861 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -99.81 18.6 17.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.889 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -100.42 -16.96 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 52.44 110.914 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.7 m -51.11 143.49 10.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 71.45 110.922 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.2 m -51.86 170.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.837 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -131.81 162.71 29.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 71.24 110.878 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.27 -170.68 12.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.755 . . . . 61.44 112.52 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.72 -30.32 16.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.755 0.312 . . . . 51.53 110.862 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.2 mtp -90.1 -67.83 0.82 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 74.21 110.835 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -139.81 149.38 43.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 70.04 110.962 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.45 148.85 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.913 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -67.55 134.49 51.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.205 -0.452 . . . . 64.3 110.963 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.6 m -107.43 144.05 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 74.2 111.077 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 t -73.34 112.91 9.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.856 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.06 136.78 52.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.859 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.0 m -108.85 142.23 39.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.877 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -145.41 169.83 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 64.44 110.838 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -110.33 82.32 2.65 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.692 0.758 . . . . 70.02 110.914 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 70.38 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 63.12 112.327 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 63.65 27.81 14.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 60.11 110.928 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -143.65 32.69 1.82 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 75.12 112.461 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -59.89 -22.12 61.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 74.34 110.932 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -95.96 -15.61 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 75.13 110.857 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -99.92 -71.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 71.11 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.24 163.11 36.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 73.54 111.183 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -106.05 147.27 29.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.1 t -107.28 126.64 63.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 72.44 111.077 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.3 m -110.61 112.44 24.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.22 110.874 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 p -126.71 171.64 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.82 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.3 m -80.22 124.37 28.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 71.34 110.932 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -131.06 165.12 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.895 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.514 HE21 HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -83.54 159.07 62.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 45.04 110.856 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -175.44 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 70.04 112.367 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -83.93 127.26 33.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 62.52 110.914 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.93 115.8 9.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 63.41 110.905 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -144.42 -69.98 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.891 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -171.24 -75.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.878 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.452 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 45.6 mm 52.01 84.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 74.13 111.095 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 52' ' ' ILE . . . 69.06 -77.16 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 55.45 111.099 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.4 95.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 72.24 110.845 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -107.18 -176.39 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.939 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.9 pt -122.38 167.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 63.5 111.157 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.6 mt 70.7 -70.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 64.52 111.13 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.35 -75.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.864 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.15 170.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.978 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -168.09 -46.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 73.53 111.105 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.97 -173.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.1 110.89 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.0 t -148.35 159.67 43.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 55.23 111.186 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.8 t -134.92 172.48 12.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.34 111.159 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 73.05 110.894 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.865 0.364 . . . . 73.22 111.105 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -99.58 160.33 14.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 75.41 110.864 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.86 132.55 54.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 53.13 111.117 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 p -90.54 -166.65 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 43.11 110.872 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.576 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.3 m -121.08 87.99 44.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.658 0.742 . . . . 71.25 111.189 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.65 -167.78 0.24 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.732 2.288 . . . . 74.12 112.362 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.759 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -67.16 152.18 46.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.941 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.759 ' HG ' HD23 ' A' ' 7' ' ' LEU . 15.4 mt 64.31 30.76 13.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.418 . . . . 72.32 110.943 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.576 ' HB3' HG23 ' A' ' 5' ' ' THR . 3.0 m-70 -134.77 139.5 45.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.939 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -61.81 139.35 58.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.452 . . . . 72.33 110.816 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.5 p -134.88 28.04 3.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 64.51 110.854 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.5 p -61.81 -25.74 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 61.22 110.863 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -39.57 83.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 55.13 110.843 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.91 120.31 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.23 110.829 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -54.95 -27.83 46.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.836 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -101.45 28.89 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.45 110.845 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.5 t -99.37 -22.09 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 52.44 110.831 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 45.2 m -56.37 143.71 33.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.879 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -47.0 161.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 74.11 110.856 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -129.98 166.82 19.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 71.24 110.904 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 177.3 174.11 43.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 61.44 112.497 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -58.86 -69.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.833 0.349 . . . . 51.53 110.918 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.0 mtm -123.15 36.2 4.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.831 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -134.99 9.04 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 70.04 110.87 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -51.37 131.57 28.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 73.14 110.906 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -95.89 144.12 26.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 64.3 110.949 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -109.57 127.59 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 74.2 111.189 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 2.0 m -70.46 112.14 6.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -116.36 142.58 46.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 73.02 110.912 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.9 m -114.91 140.37 49.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.836 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -145.84 -174.77 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 64.44 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -107.77 148.74 37.92 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.645 0.736 . . . . 70.02 110.936 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -6.37 18.42 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 63.12 112.297 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 65.42 29.97 11.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 60.11 110.912 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.2 -54.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.758 . . . . 75.12 112.419 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -100.37 96.55 7.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 74.34 110.85 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -83.6 53.62 2.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.484 . . . . 75.13 110.834 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -123.41 -8.48 8.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 71.11 110.94 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -160.56 151.64 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 73.54 111.214 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -103.38 127.73 50.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 72.24 110.833 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.4 t -82.7 114.57 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 72.44 111.06 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.7 m -108.81 110.42 21.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.1 p -129.38 165.66 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.917 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.44 ' SG ' HG22 ' A' ' 5' ' ' THR . 60.9 m -80.56 121.51 25.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.34 110.906 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -122.16 169.58 10.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.885 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.634 HE21 HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -87.65 159.23 49.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.599 0.714 . . . . 45.04 110.913 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -175.44 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 70.04 112.345 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.19 -169.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 62.52 110.934 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.92 158.4 32.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 63.41 110.829 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -107.58 82.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 74.44 110.891 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.89 -75.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.14 110.896 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.0 177.44 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 74.13 111.128 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.22 95.88 6.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 55.45 111.162 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -130.32 59.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 72.24 110.906 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.01 176.07 8.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 74.44 110.863 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 tt -150.12 136.04 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 63.5 111.133 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 tt -150.65 143.76 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 64.52 111.175 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.79 162.81 38.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.9 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.47 138.04 3.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.908 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -136.38 123.41 21.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 73.53 111.123 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.16 88.63 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.1 110.934 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.2 t -84.45 136.41 33.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 55.23 111.14 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.2 p -134.58 178.36 7.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 72.34 111.112 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.05 110.931 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.86 0.362 . . . . 73.22 111.083 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -84.18 105.09 14.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.875 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.56 18.93 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 53.13 111.121 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -62.26 -170.31 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 43.11 110.902 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.558 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.9 m -109.08 87.3 4.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.614 0.721 . . . . 71.25 111.125 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -167.58 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.649 2.232 . . . . 74.12 112.366 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.727 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -67.19 153.93 42.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 74.42 110.944 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.727 ' HG ' HD23 ' A' ' 7' ' ' LEU . 16.7 mt 64.19 31.88 12.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 72.32 110.889 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.558 ' HB3' HG23 ' A' ' 5' ' ' THR . 3.7 m-70 -135.53 138.98 43.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.882 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.437 ' O ' HG21 ' A' ' 5' ' ' THR . 16.4 m-20 -56.0 143.2 33.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 72.33 110.864 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -137.77 25.41 2.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 64.51 110.904 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 t -70.67 -17.54 62.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 61.22 110.822 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -40.2 82.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 55.13 110.796 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -164.35 120.24 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 73.23 110.89 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -54.73 -28.11 45.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.803 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.86 29.89 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.881 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.0 p -100.2 -27.31 13.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 52.44 110.914 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.5 m -56.21 141.34 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.865 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.7 m -53.48 173.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.83 114.12 15.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 71.24 110.903 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.5 -150.42 2.68 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.69 -0.766 . . . . 61.44 112.509 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -99.96 -63.67 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.763 0.316 . . . . 51.53 110.809 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 ttt -104.95 -27.48 11.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -117.43 122.28 43.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 70.04 110.868 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -100.25 143.9 29.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.14 110.859 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -77.36 128.88 35.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 64.3 110.953 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 m -108.8 161.79 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 74.2 111.148 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.7 m -85.12 120.47 26.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.856 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.34 129.03 48.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 73.02 110.869 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.5 m -100.0 137.13 38.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.864 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -145.19 175.47 10.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 64.44 110.869 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -110.5 84.43 3.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.682 0.753 . . . . 70.02 110.885 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 72.46 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 63.12 112.335 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 65.01 31.23 11.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 60.11 110.873 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.37 125.03 17.16 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.766 -0.73 . . . . 75.12 112.553 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.54 -75.61 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 74.34 110.873 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.15 -68.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.825 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -140.22 112.51 7.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 71.11 110.826 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 m -161.49 58.29 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 73.54 111.169 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.5 119.93 16.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.868 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.6 t -102.39 124.55 56.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 72.44 111.121 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.2 m -102.03 111.1 23.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.888 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 p -124.89 174.01 8.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 73.25 110.869 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.446 ' SG ' HG22 ' A' ' 5' ' ' THR . 58.0 m -81.09 125.72 30.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 71.34 110.889 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -124.67 156.61 37.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.555 HE21 HD13 ' A' ' 7' ' ' LEU . 2.9 mt-30 -106.92 85.59 1.99 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.616 0.722 . . . . 45.04 110.948 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -173.13 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 70.04 112.363 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.72 37.9 25.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 62.52 110.867 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.38 171.94 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 63.41 110.847 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 t60 52.06 67.72 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 74.44 110.854 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -164.66 28.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.918 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.2 tt -173.31 135.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.13 111.134 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 54.3 70.07 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 55.45 111.11 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.04 104.09 11.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 72.24 110.876 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.46 148.77 24.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.825 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 pp -141.32 131.73 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 63.5 111.134 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.5 mt -57.21 142.34 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 64.52 111.166 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.36 119.74 14.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.833 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.71 169.26 10.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.934 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -178.07 152.01 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 73.53 111.056 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.3 167.68 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 74.1 110.91 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.2 t -165.78 151.21 8.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 55.23 111.109 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.7 t -160.67 146.69 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 72.34 111.131 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 73.05 110.937 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.858 0.361 . . . . 73.22 111.13 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -67.94 -36.91 80.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.823 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.37 145.12 55.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 53.13 111.109 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p -74.98 -170.99 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 43.11 110.91 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.456 HG22 ' SG ' ' A' ' 44' ' ' CYS . 28.9 m -108.96 86.35 3.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.69 . . . . 71.25 111.145 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -167.41 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.688 2.258 . . . . 74.12 112.374 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.603 HD11 ' N ' ' A' ' 46' ' ' GLN . 0.5 OUTLIER -68.25 157.11 36.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.421 . . . . 74.42 110.932 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.6 mt 63.55 28.44 15.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.129 -0.487 . . . . 72.32 110.935 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -134.05 138.51 45.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 73.35 110.796 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.33 145.56 21.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.883 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 p -140.03 22.14 2.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 64.51 110.894 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 t -54.1 -27.6 34.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 61.22 110.855 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -59.75 -46.32 89.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 55.13 110.872 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.11 118.86 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.849 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -56.12 -24.93 43.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.872 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -103.65 26.89 7.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.836 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.2 t -99.84 -23.35 14.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.996 0.427 . . . . 52.44 110.887 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.5 m -52.87 151.95 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 71.45 110.862 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.9 m -52.86 173.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.873 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -130.56 169.22 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 71.24 110.839 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.13 -175.22 19.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.675 -0.774 . . . . 61.44 112.44 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -88.83 -25.83 21.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 51.53 110.845 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.9 ttp -91.11 -66.46 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 74.21 110.866 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -143.7 154.73 43.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 70.04 110.874 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -99.63 139.25 35.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.861 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -58.17 142.46 47.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 64.3 110.96 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -109.3 135.11 49.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 74.2 111.176 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 t -73.88 104.63 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.945 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.38 142.4 32.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 73.02 110.859 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 71.2 m -116.01 138.67 51.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.889 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -145.45 -175.9 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 64.44 110.829 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -133.13 152.87 80.38 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.671 0.748 . . . . 70.02 110.904 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -3.55 12.26 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.695 2.263 . . . . 63.12 112.351 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 67.27 25.62 8.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 60.11 110.899 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.73 -57.12 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.763 -0.732 . . . . 75.12 112.484 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -100.29 96.17 7.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 74.34 110.898 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -82.25 54.71 2.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.83 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -117.45 -26.0 6.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 71.11 110.872 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -147.57 145.61 29.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 73.54 111.182 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -104.46 127.55 52.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 72.24 110.871 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 t -82.73 118.8 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 72.44 111.157 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.3 m -111.51 114.77 28.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 73.22 110.939 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.6 p -130.16 170.1 14.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 73.25 110.848 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 5' ' ' THR . 80.7 m -80.12 124.71 29.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 71.34 110.956 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -130.66 150.18 51.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 72.45 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.603 ' N ' HD11 ' A' ' 7' ' ' LEU . 5.3 pt20 -100.49 155.63 36.15 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.537 0.684 . . . . 45.04 110.905 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 34.78 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.731 2.287 . . . . 70.04 112.336 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 46' ' ' GLN . 1.3 mmtt -115.17 80.46 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 62.52 110.893 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.49 122.98 17.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 63.41 110.848 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -175.58 129.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.863 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' C ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -156.4 59.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 71.14 110.902 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.479 HD12 ' C ' ' A' ' 51' ' ' LYS . 3.8 mp 54.86 69.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 74.13 111.155 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -171.71 30.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 55.45 111.133 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -97.26 41.86 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -90.87 177.2 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.51 . . . . 74.44 110.92 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.3 tp -67.92 136.55 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 63.5 111.147 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.1 -66.26 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 64.52 111.155 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -173.76 98.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.858 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -134.91 66.7 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.947 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.8 -33.95 22.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 73.53 111.097 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.57 159.1 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 74.1 110.897 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 167.83 16.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 55.23 111.162 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.81 134.26 54.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.156 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 73.05 110.874 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.867 0.365 . . . . 73.22 111.175 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -144.89 159.18 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.41 110.904 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.6 159.47 18.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 53.13 111.068 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.1 p -99.23 -170.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 43.11 110.848 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 9' ' ' HIS . 28.4 m -108.94 86.88 4.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.594 0.711 . . . . 71.25 111.133 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -165.82 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.708 2.272 . . . . 74.12 112.298 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.732 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -67.71 153.05 44.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.849 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.732 ' HG ' HD23 ' A' ' 7' ' ' LEU . 9.9 mt 66.13 33.28 7.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 72.32 110.884 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.559 ' HB3' HG23 ' A' ' 5' ' ' THR . 16.0 m-70 -135.62 138.35 42.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.86 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -51.05 141.61 13.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.835 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 p -130.44 12.17 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 64.51 110.908 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t -62.56 -22.34 66.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.452 . . . . 61.22 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -69.45 -42.04 75.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 55.13 110.849 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -165.22 122.01 1.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.903 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -22.01 66.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.923 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -99.31 5.6 46.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.896 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.8 t -81.37 -27.93 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 52.44 110.851 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.1 m -53.56 141.22 26.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 71.45 110.858 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.0 m -52.25 172.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.926 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.25 155.4 46.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 71.24 110.862 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.92 165.9 26.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 61.44 112.456 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -82.29 -17.13 46.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.815 0.34 . . . . 51.53 110.907 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.6 mtt -89.9 -65.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.856 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -141.04 151.59 44.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.879 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.58 140.21 29.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.893 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -72.81 128.18 34.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 64.3 110.901 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.9 m -108.02 164.95 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 74.2 111.164 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.4 125.65 35.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.905 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.33 125.24 34.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 73.02 110.893 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.1 m -99.96 138.81 36.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.853 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -145.2 176.5 9.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 64.44 110.877 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -111.27 83.43 4.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.716 0.769 . . . . 70.02 110.875 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 71.93 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.724 2.283 . . . . 63.12 112.346 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 65.03 31.19 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 60.11 110.825 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.35 124.78 16.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 75.12 112.46 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -75.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 74.34 110.966 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.53 -70.85 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 75.13 110.868 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -140.08 113.76 8.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 71.11 110.871 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -161.7 52.53 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 73.54 111.131 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.95 120.05 10.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 72.24 110.859 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -102.67 124.09 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 72.44 111.05 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.1 m -102.95 119.22 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 73.22 110.894 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.1 p -129.46 176.21 8.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 73.25 110.812 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.3 m -80.87 117.8 21.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 71.34 110.851 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -127.5 159.12 35.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 72.45 110.914 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.502 HE21 HD13 ' A' ' 7' ' ' LEU . 2.8 mt-30 -83.86 159.62 60.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.718 . . . . 45.04 110.908 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.71 -175.7 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.273 . . . . 70.04 112.324 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.03 162.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 62.52 110.928 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.8 t 51.85 82.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 63.41 110.834 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.52 -73.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 74.44 110.868 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.87 35.28 18.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 71.14 110.838 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.8 tt -115.73 -15.56 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 74.13 111.124 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -137.77 47.42 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 55.45 111.04 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -90.25 58.25 4.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 72.24 110.83 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -117.24 160.49 21.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.914 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 tt -158.92 143.98 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 63.5 111.176 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 pt -142.35 171.83 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 64.52 111.151 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.99 138.31 58.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.872 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.3 107.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.951 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.09 153.68 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 73.53 111.052 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.89 137.35 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.934 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.8 p -84.36 125.8 32.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 55.23 111.16 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.76 177.38 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 72.34 111.127 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 73.05 111.012 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.83 0.348 . . . . 73.22 111.082 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -98.57 -36.32 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 75.41 110.838 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.28 141.85 54.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 53.13 111.074 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -78.15 -170.39 1.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 43.11 110.937 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.8 m -109.15 86.68 4.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.555 0.693 . . . . 71.25 111.097 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -167.43 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.728 2.286 . . . . 74.12 112.377 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.733 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -67.34 154.33 41.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 74.42 110.921 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.733 ' HG ' HD23 ' A' ' 7' ' ' LEU . 12.8 mt 65.13 30.47 11.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.85 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.508 ' HB3' HG23 ' A' ' 5' ' ' THR . 6.2 m-70 -135.48 137.47 42.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 73.35 110.84 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.442 ' O ' HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -53.61 143.66 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.866 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.8 p -134.58 20.23 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 64.51 110.906 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -22.22 66.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 61.22 110.857 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -62.98 -41.71 99.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 55.13 110.858 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.13 121.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 73.23 110.838 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -53.42 -31.29 44.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.86 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -100.35 31.78 3.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.859 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.0 t -99.96 -25.29 14.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 52.44 110.886 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.1 m -58.17 143.17 45.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 71.45 110.894 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.0 m -51.73 170.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.854 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -132.27 158.56 41.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 71.24 110.895 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.33 -158.73 9.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.712 -0.756 . . . . 61.44 112.468 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -99.77 -29.48 12.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.708 0.29 . . . . 51.53 110.801 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.4 ttp -89.34 -63.39 1.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 74.21 110.883 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -146.89 156.13 42.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 70.04 110.95 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -95.91 147.98 23.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 73.14 110.916 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -59.41 146.58 39.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 64.3 110.949 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 m -106.38 143.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 74.2 111.146 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -81.58 108.14 14.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.894 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.66 123.09 45.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 73.02 110.885 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.0 m -101.49 138.7 38.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 73.42 110.835 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -145.7 -171.48 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.933 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -126.58 151.47 73.1 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.676 0.75 . . . . 70.02 110.905 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -4.22 13.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.267 . . . . 63.12 112.361 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 66.52 28.47 9.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 60.11 110.862 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.85 -58.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 75.12 112.505 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -100.22 95.4 6.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.369 . . . . 74.34 110.875 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.74 54.46 2.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 75.13 110.858 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.25 -23.32 8.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 71.11 110.853 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.6 m -147.96 141.92 25.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 73.54 111.164 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -95.55 135.07 37.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 72.24 110.91 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 t -96.05 117.14 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 72.44 111.117 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.5 m -113.11 121.24 43.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.883 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.8 p -129.99 170.45 13.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.901 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.449 ' SG ' HG22 ' A' ' 5' ' ' THR . 67.6 m -80.58 119.54 23.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.899 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -127.97 161.86 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 72.45 110.882 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.595 ' NE2' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -83.62 159.43 61.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.517 0.675 . . . . 45.04 110.978 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 35.0 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.713 2.275 . . . . 70.04 112.346 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 46' ' ' GLN . 9.1 mmtt -92.6 96.11 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 62.52 110.951 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.55 125.53 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 63.41 110.822 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -68.66 -28.45 66.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.808 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -85.97 66.32 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 71.14 110.897 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.445 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 76.3 mt -53.22 103.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 74.13 111.134 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 52' ' ' ILE . . . 69.0 -77.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 55.45 111.087 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 57.6 39.82 27.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 72.24 110.854 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -111.08 176.75 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 74.44 110.929 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 tt -163.86 136.61 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 63.5 111.177 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 pt -135.56 171.66 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 64.52 111.127 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -165.62 175.69 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.834 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -173.41 169.02 4.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.926 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -125.99 177.52 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 73.53 111.1 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -139.9 137.01 34.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.924 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 p -117.0 141.38 48.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 55.23 111.115 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.7 t -96.92 -25.62 15.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.133 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 73.05 110.947 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.81 0.338 . . . . 73.22 111.056 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -93.54 -27.68 16.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 75.41 110.956 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.22 17.05 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 53.13 111.069 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.3 p -60.67 -170.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 43.11 110.906 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.561 HG23 ' HB3' ' A' ' 9' ' ' HIS . 28.7 m -108.93 87.14 4.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 71.25 111.202 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -167.39 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.695 2.263 . . . . 74.12 112.286 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.621 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -67.15 153.12 44.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.869 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.621 ' HG ' HD23 ' A' ' 7' ' ' LEU . 11.6 mt 66.12 29.28 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.986 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.561 ' HB3' HG23 ' A' ' 5' ' ' THR . 7.5 m-70 -135.21 136.98 42.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.901 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.428 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -59.02 143.7 47.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 72.33 110.853 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -134.11 22.51 3.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 64.51 110.836 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.3 t -56.28 -24.65 44.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 61.22 110.749 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -59.16 -42.73 91.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 55.13 110.829 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -165.38 123.94 1.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.86 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -33.91 35.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.876 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -99.59 35.65 1.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 74.45 110.885 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 t -100.44 -29.48 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 52.44 110.829 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 61.2 m -51.59 149.87 4.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 71.45 110.893 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.9 m -57.46 -176.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.859 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -129.31 -39.52 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 71.24 110.877 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.98 164.81 0.51 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.752 -0.737 . . . . 61.44 112.438 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -86.44 -17.75 33.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 51.53 110.881 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.1 mmt -89.95 -72.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.87 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -139.8 155.85 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 70.04 110.872 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -96.34 134.05 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 73.14 110.885 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -73.69 145.04 45.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 64.3 110.927 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.6 m -106.48 135.22 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 74.2 111.122 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 3.1 m -72.51 108.96 5.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 74.43 110.931 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.15 139.01 43.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 73.02 110.86 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.6 m -114.41 139.69 49.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.913 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -145.5 -170.92 3.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 64.44 110.857 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -132.04 153.04 81.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.687 0.756 . . . . 70.02 110.868 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.75 -4.15 13.43 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.657 2.238 . . . . 63.12 112.376 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 66.35 27.57 10.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 60.11 110.889 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -152.83 -57.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 75.12 112.441 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -100.32 96.65 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 74.34 110.866 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.89 54.44 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.13 110.863 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -114.79 -28.35 7.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 71.11 110.933 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.4 t -146.12 144.65 30.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 73.54 111.224 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -100.47 131.45 46.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 72.24 110.834 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 t -86.32 116.71 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 72.44 111.11 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 76.6 m -111.21 113.81 26.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 73.22 110.975 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.8 p -129.82 167.78 17.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 73.25 110.87 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.43 ' SG ' HG22 ' A' ' 5' ' ' THR . 68.9 m -80.78 123.99 28.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 71.34 110.854 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -129.14 163.22 25.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.941 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.618 ' NE2' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -85.5 159.62 55.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 45.04 110.862 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 34.99 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 70.04 112.332 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 46' ' ' GLN . 5.9 mttp 52.03 67.37 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 62.52 110.892 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 m -110.83 151.05 28.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 63.41 110.858 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -174.51 -43.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.936 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -169.25 57.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 71.14 110.918 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.8 mm -115.79 -15.53 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 74.13 111.154 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.68 -67.68 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 55.45 111.095 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 52.98 82.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.871 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.33 145.14 31.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 74.44 110.912 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.0 tp -84.92 -30.02 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 63.5 111.186 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.2 mm -80.05 89.91 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 64.52 111.156 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -115.39 40.23 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.88 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.32 94.89 4.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.918 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -175.79 67.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.4 . . . . 73.53 111.085 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 137.1 45.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.876 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 t -134.44 124.52 25.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 55.23 111.076 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.13 179.94 7.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 72.34 111.178 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 73.05 110.898 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.893 0.378 . . . . 73.22 111.101 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -116.51 -33.65 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 75.41 110.951 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.36 17.26 4.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 53.13 111.103 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.7 p -66.66 -170.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 43.11 110.849 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.521 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.3 m -108.86 86.65 3.92 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.586 0.708 . . . . 71.25 111.176 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -166.59 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.659 2.24 . . . . 74.12 112.329 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.572 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -67.91 156.69 36.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 74.42 110.919 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.572 ' HG ' HD23 ' A' ' 7' ' ' LEU . 15.1 mt 63.61 30.72 14.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.945 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.521 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.4 m-70 -135.05 139.1 44.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.904 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.448 ' O ' HG21 ' A' ' 5' ' ' THR . 17.8 m-20 -53.74 147.21 12.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 72.33 110.849 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.3 p -140.23 23.51 2.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 64.51 110.902 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.2 t -57.79 -34.03 69.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 61.22 110.863 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -59.29 -42.92 92.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 55.13 110.841 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -165.2 122.33 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.836 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -22.11 66.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.892 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -99.55 5.59 46.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.816 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.0 t -79.49 -24.15 42.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 52.44 110.867 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.4 m -51.48 153.58 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 71.45 110.826 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.7 m -57.87 -174.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 74.11 110.857 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -129.58 -46.57 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 71.24 110.874 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.6 163.09 0.33 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 61.44 112.484 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.41 -12.17 49.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 51.53 110.892 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.9 mtp -89.66 -72.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.891 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -144.34 154.56 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 70.04 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -92.18 136.55 33.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.862 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -79.91 140.5 36.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 64.3 110.959 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.11 138.36 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 74.2 111.144 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -70.65 124.0 23.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 74.43 110.906 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.1 135.58 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 73.02 110.878 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.7 m -106.41 140.65 38.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.875 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -145.49 170.43 16.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 64.44 110.855 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -110.31 81.99 2.5 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.65 0.738 . . . . 70.02 110.997 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.62 70.73 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.277 . . . . 63.12 112.407 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 64.51 28.38 13.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 60.11 110.878 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -153.45 52.24 0.47 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 75.12 112.461 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -75.49 -22.56 57.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 74.34 110.949 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.69 -11.84 33.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 75.13 110.899 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -99.99 -71.48 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 71.11 110.872 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -159.99 155.46 25.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 73.54 111.169 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -95.91 141.53 29.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.915 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.2 t -104.16 125.1 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 72.44 111.109 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.0 m -111.18 115.88 30.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.897 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.0 p -128.95 170.7 13.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.824 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.418 ' SG ' HG22 ' A' ' 5' ' ' THR . 74.6 m -80.66 119.9 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 71.34 110.809 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -123.2 150.21 43.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 72.45 110.921 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.558 ' N ' HD11 ' A' ' 7' ' ' LEU . 5.2 pt20 -99.16 154.71 37.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.526 0.679 . . . . 45.04 110.961 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 35.07 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 70.04 112.344 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 46' ' ' GLN . 16.9 tttm -61.83 111.18 1.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 62.52 110.91 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.31 -179.2 3.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 63.41 110.883 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -59.12 -25.61 64.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 74.44 110.824 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tttm 63.23 99.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 71.14 110.839 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.5 pt -70.62 154.68 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.13 111.107 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.34 98.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.502 . . . . 55.45 111.107 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -115.52 94.53 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.878 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -62.65 172.36 1.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.941 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 tt -125.79 139.2 52.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 63.5 111.204 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 tt -86.28 -28.42 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 64.52 111.147 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 62.66 166.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.885 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -97.22 162.84 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 73.11 110.926 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.67 117.52 16.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.53 111.119 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -176.57 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 74.1 110.868 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.85 134.55 19.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 55.23 111.118 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.9 m -60.04 -56.58 19.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 72.34 111.196 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 73.05 110.938 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.82 0.343 . . . . 73.22 111.154 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -88.57 142.99 27.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 75.41 110.845 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.96 160.4 14.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 53.13 111.161 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -96.04 -170.43 2.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 43.11 110.84 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.547 HG23 ' HB3' ' A' ' 9' ' ' HIS . 31.5 m -108.98 86.14 3.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 71.25 111.215 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -166.67 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.678 2.252 . . . . 74.12 112.374 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.686 HD23 ' HG ' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -67.55 155.19 39.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.931 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.686 ' HG ' HD23 ' A' ' 7' ' ' LEU . 13.0 mt 64.8 31.16 11.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 72.32 110.916 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.547 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.7 m-70 -135.12 139.16 44.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 73.35 110.88 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.454 ' O ' HG21 ' A' ' 5' ' ' THR . 6.5 m-20 -52.96 146.73 10.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 72.33 110.851 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.3 p -140.28 26.86 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 64.51 110.856 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 p -71.73 -24.31 61.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 61.22 110.831 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -62.97 -46.4 87.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 55.13 110.874 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -162.51 119.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.838 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -57.31 -23.63 49.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.853 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -99.48 25.71 6.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.801 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.5 t -100.34 -29.33 12.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 52.44 110.887 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.5 m -51.68 143.36 12.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 71.45 110.923 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.1 m -52.02 170.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 74.11 110.94 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -131.38 169.47 15.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 71.24 110.877 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.02 -172.43 16.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.695 -0.764 . . . . 61.44 112.457 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -94.6 -25.3 16.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 51.53 110.857 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.8 mtm -90.2 -66.78 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 74.21 110.877 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -143.47 151.4 40.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 70.04 110.893 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -94.16 151.56 19.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 73.14 110.854 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -69.64 142.68 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 64.3 110.903 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -111.86 138.15 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.2 111.095 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.11 131.02 43.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.43 110.881 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.39 121.5 27.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 73.02 110.887 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 63.5 m -99.46 142.44 30.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.882 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -146.09 159.48 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 64.44 110.895 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.455 ' C ' ' H ' ' A' ' 34' ' ' GLU . 3.9 m-85 -112.11 85.41 6.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 70.02 110.967 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 37.0 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 63.12 112.399 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.455 ' H ' ' C ' ' A' ' 32' ' ' TYR . 30.0 mm-40 46.64 29.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 60.11 110.925 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.78 2.86 2.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 75.12 112.516 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.491 ' CG ' HG23 ' A' ' 41' ' ' VAL . 53.5 mm-40 -101.43 94.95 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.363 . . . . 74.34 110.87 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -96.79 11.23 36.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.865 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.83 -43.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.11 110.929 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.2 t -160.83 134.59 6.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 73.54 111.163 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.22 156.03 7.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.428 . . . . 72.24 110.913 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.491 HG23 ' CG ' ' A' ' 36' ' ' GLU . 16.9 t -86.14 114.86 26.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 72.44 111.133 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.0 m -107.22 115.25 29.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 73.22 110.848 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.6 p -124.48 169.33 11.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.838 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.32 120.32 24.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 71.34 110.925 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -127.7 152.32 47.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 72.45 110.848 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -101.48 156.66 34.9 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 45.04 110.892 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -170.81 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.235 . . . . 70.04 112.384 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.56 -178.36 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 62.52 110.841 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 t -62.61 -177.89 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 63.41 110.92 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -125.14 89.66 3.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.876 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.46 97.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.924 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.6 pt -109.44 -15.41 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 74.13 111.09 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -160.63 123.0 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 55.45 111.131 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -172.42 96.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.925 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 145.3 50.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.911 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.3 tt -79.39 148.02 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 63.5 111.116 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.2 mp -123.25 -51.56 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 64.52 111.155 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -68.32 161.19 27.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 75.13 110.894 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.86 106.14 15.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 73.11 110.919 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.18 163.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 73.53 111.128 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -92.72 151.81 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.831 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.65 153.29 22.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 55.23 111.166 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.63 123.72 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 72.34 111.18 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 73.05 110.898 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.927 0.394 . . . . 73.22 111.132 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -68.7 134.23 49.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 75.41 110.875 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.61 18.8 3.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 53.13 111.073 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.8 p -78.71 -168.44 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 43.11 110.915 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.576 HG23 ' HB3' ' A' ' 9' ' ' HIS . 27.0 m -131.39 90.09 38.92 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.575 0.702 . . . . 71.25 111.183 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -165.53 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.703 2.268 . . . . 74.12 112.346 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.739 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -68.77 152.8 44.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.86 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.739 ' HG ' HD23 ' A' ' 7' ' ' LEU . 14.7 mt 65.02 32.25 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 72.32 110.967 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.576 ' HB3' HG23 ' A' ' 5' ' ' THR . 14.1 m-70 -135.28 141.0 45.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.901 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.569 ' O ' HG21 ' A' ' 5' ' ' THR . 11.2 m-20 -51.72 132.91 31.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.852 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 p -118.26 12.99 13.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 64.51 110.91 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 p -60.2 -20.45 58.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 61.22 110.831 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -69.82 -50.56 41.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 55.13 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.19 121.84 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 73.23 110.865 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -24.2 67.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.881 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -99.23 5.54 46.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.84 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -90.05 -25.66 20.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 52.44 110.857 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.1 m -52.19 142.48 16.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 71.45 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.4 m -50.66 168.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 74.11 110.895 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -129.89 149.64 51.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 71.24 110.914 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.52 -159.29 18.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 61.44 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -98.54 -25.48 14.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 51.53 110.872 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.0 mtm -92.07 -70.52 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.883 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -136.67 162.7 32.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 70.04 110.819 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -92.21 144.71 25.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 73.14 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -68.39 144.42 54.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 64.3 110.981 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -107.66 173.2 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 74.2 111.094 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.63 130.37 39.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 74.43 110.885 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.42 119.06 23.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 73.02 110.799 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.9 m -99.53 141.53 32.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 73.42 110.88 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -145.25 172.31 13.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 64.44 110.886 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -110.35 81.98 2.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 70.02 110.947 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 70.81 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 63.12 112.392 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 64.44 29.56 13.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 60.11 110.933 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.54 34.71 1.05 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.663 -0.78 . . . . 75.12 112.452 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.96 -21.46 61.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 74.34 110.858 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -98.78 -15.58 19.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.901 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -100.04 -71.6 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 71.11 110.926 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 t -157.75 159.98 37.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 73.54 111.218 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.97 157.32 17.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 72.24 110.914 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.1 t -119.65 129.74 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 72.44 111.159 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.1 m -112.08 124.17 51.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.22 110.9 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.9 p -130.28 173.09 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 73.25 110.894 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.427 ' SG ' HG22 ' A' ' 5' ' ' THR . 27.4 m -80.73 123.15 27.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 71.34 110.918 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -131.93 157.64 43.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 72.45 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.582 ' NE2' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -82.27 159.61 64.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.544 0.688 . . . . 45.04 111.001 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 35.19 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 70.04 112.322 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 46' ' ' GLN . 15.6 ptmt -155.45 155.32 33.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 62.52 110.804 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.98 173.87 7.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 63.41 110.814 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -157.04 71.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.846 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -155.7 54.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 71.14 110.925 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 tt -116.21 -15.55 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.13 111.133 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -137.67 59.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 55.45 111.023 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.1 -27.95 15.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.881 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -139.82 159.1 42.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 74.44 110.906 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.3 pt -83.82 172.32 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 63.5 111.176 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 pp -97.02 160.28 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 64.52 111.114 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.22 -172.27 3.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.905 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -66.88 160.71 25.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 73.11 110.816 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -162.64 168.49 21.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 73.53 111.093 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.91 95.82 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.905 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.5 p -151.82 154.69 36.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 55.23 111.165 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.7 t -106.11 163.35 12.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 72.34 111.167 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 73.05 110.941 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.867 0.365 . . . . 73.22 111.115 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -76.13 -20.94 57.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.875 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.43 17.95 4.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 53.13 111.12 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.3 p -67.91 -170.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 43.11 110.811 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.431 HG22 ' SG ' ' A' ' 44' ' ' CYS . 30.5 m -109.0 87.62 4.82 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.566 0.698 . . . . 71.25 111.085 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -168.18 0.26 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.685 2.257 . . . . 74.12 112.291 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.586 HD11 ' N ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -67.04 159.8 27.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.918 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.404 ' HG ' HD23 ' A' ' 7' ' ' LEU . 28.5 mt 55.95 30.62 16.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 72.32 110.905 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -132.5 141.26 48.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 73.35 110.854 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -62.91 140.08 58.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.854 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.2 p -135.91 28.86 3.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 64.51 110.876 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.6 t -59.65 -26.83 65.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 61.22 110.881 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -62.89 -36.1 82.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 55.13 110.818 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.85 123.06 1.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 73.23 110.867 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -64.61 -17.14 63.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.843 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -107.44 3.75 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.853 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 t -74.5 -23.04 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 52.44 110.879 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 55.8 m -51.69 140.87 17.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 71.45 110.865 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.8 m -51.23 169.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.886 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -132.61 171.46 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 71.24 110.903 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.43 -170.77 15.9 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.697 -0.763 . . . . 61.44 112.456 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -97.92 -24.7 15.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.747 0.308 . . . . 51.53 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.2 mtm -90.32 -68.94 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.85 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -136.77 150.77 48.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 70.04 110.849 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -99.88 139.87 34.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 73.14 110.922 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -66.1 149.5 50.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 64.3 110.877 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.3 m -115.44 129.65 71.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.038 -0.528 . . . . 74.2 111.091 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 7.1 m -74.12 105.03 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.928 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.37 143.8 30.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 73.02 110.911 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 70.9 m -113.95 139.69 49.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.881 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -145.63 -173.45 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -116.03 150.86 45.83 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 70.02 110.955 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -4.66 14.5 Favored 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.729 2.286 . . . . 63.12 112.316 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 65.85 24.46 11.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 60.11 110.877 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.48 -55.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 75.12 112.492 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -100.63 98.26 8.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 74.34 110.901 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -84.92 53.69 2.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.897 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.8 -30.44 7.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 71.11 110.931 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 t -145.94 147.51 31.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 73.54 111.125 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -94.41 129.63 41.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 72.24 110.831 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.6 t -85.15 116.38 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 72.44 111.107 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.8 m -110.87 114.33 27.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.927 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.5 p -128.48 166.76 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 73.25 110.864 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.431 ' SG ' HG22 ' A' ' 5' ' ' THR . 61.3 m -81.13 120.25 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 71.34 110.912 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -123.89 150.26 44.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 72.45 110.969 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.586 ' N ' HD11 ' A' ' 7' ' ' LEU . 5.5 pt20 -100.38 155.68 36.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 45.04 110.873 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 35.05 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.739 2.293 . . . . 70.04 112.358 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -137.59 96.29 3.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 62.52 110.85 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.6 t -79.14 62.44 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 63.41 110.849 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.29 98.01 6.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.852 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -53.44 -75.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.924 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.2 mt 61.03 58.89 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 74.13 111.102 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -178.43 -65.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 55.45 111.094 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 52.22 59.71 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.903 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 132.5 54.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.939 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.0 tt -146.3 138.52 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 63.5 111.11 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.1 pt -132.02 -179.17 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 64.52 111.137 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.24 110.17 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 75.13 110.843 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 165.23 8.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.93 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.69 129.62 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 73.53 111.044 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -100.83 140.21 35.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.917 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.15 107.74 18.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 55.23 111.13 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.22 167.54 13.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 72.34 111.168 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 73.05 110.864 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.866 0.365 . . . . 73.22 111.06 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -101.42 18.89 18.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 75.41 110.921 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.64 128.8 34.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 53.13 111.078 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.4 p -97.78 -170.97 2.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 43.11 110.93 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.511 HG23 ' HB3' ' A' ' 9' ' ' HIS . 29.0 m -108.73 87.59 4.56 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.561 0.696 . . . . 71.25 111.135 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -167.75 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.708 2.272 . . . . 74.12 112.288 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.66 HD23 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -67.32 154.36 41.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.913 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.66 ' HG ' HD23 ' A' ' 7' ' ' LEU . 12.2 mt 63.93 29.91 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 72.32 110.981 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.511 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.0 m-70 -134.63 139.24 45.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.35 110.837 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -60.51 142.05 55.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.847 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.8 p -139.66 28.18 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 64.51 110.88 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 p -62.08 -24.6 67.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 61.22 110.821 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -59.61 -39.66 84.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 55.13 110.884 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.21 120.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.855 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -54.37 -28.63 44.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.86 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.54 30.67 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 74.45 110.843 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 p -99.53 -26.29 14.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 52.44 110.841 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 62.0 m -53.74 149.62 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.868 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.7 m -58.49 -172.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 74.11 110.809 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -128.04 -6.75 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.846 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.4 172.89 0.39 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 61.44 112.526 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -73.93 -48.35 31.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 51.53 110.862 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.9 ttp -124.6 -36.18 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.852 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -100.22 128.8 46.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.429 . . . . 70.04 110.836 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.15 131.75 44.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 73.14 110.894 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -81.32 145.88 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 64.3 110.932 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 m -117.85 136.29 55.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.11 -0.495 . . . . 74.2 111.112 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 4.0 m -70.57 119.66 15.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.939 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.31 138.07 54.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 73.02 110.855 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.8 m -113.2 141.25 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 73.42 110.913 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -145.82 -170.8 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 64.44 110.878 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -124.41 143.97 44.58 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.631 0.729 . . . . 70.02 110.933 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 -2.94 11.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 63.12 112.398 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 68.91 30.62 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 60.11 110.864 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.26 168.2 24.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 75.12 112.543 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -99.98 -19.67 16.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.828 0.347 . . . . 74.34 110.897 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -94.2 19.27 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 75.13 110.881 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -140.42 175.93 9.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 71.11 110.953 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.29 172.74 9.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 73.54 111.146 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -56.77 158.69 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.913 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 t -133.83 119.75 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 72.44 111.102 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.6 m -105.09 110.95 23.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.884 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 p -129.95 165.55 21.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 73.25 110.842 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.43 ' SG ' HG22 ' A' ' 5' ' ' THR . 68.2 m -80.55 123.12 27.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 71.34 110.883 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -125.76 151.28 46.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.904 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.585 ' N ' HD11 ' A' ' 7' ' ' LEU . 4.5 pt20 -100.07 154.68 37.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 45.04 110.951 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 34.87 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.272 . . . . 70.04 112.334 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -55.2 -42.6 73.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 62.52 110.996 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.1 p -95.64 47.94 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 63.41 110.86 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -173.05 99.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.877 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -108.19 -75.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 71.14 110.853 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.9 mt 51.74 68.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.13 111.143 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 56.89 71.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 55.45 111.11 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.0 109.71 22.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 72.24 110.877 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -88.67 158.07 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 74.44 110.851 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pp -121.84 179.37 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 63.5 111.12 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.9 tt -128.36 137.29 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 64.52 111.138 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -71.2 124.1 23.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 75.13 110.882 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.84 112.91 10.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.898 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.59 165.51 24.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.53 111.154 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.83 -172.68 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 74.1 110.853 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.6 t -116.93 160.32 21.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 55.23 111.093 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.2 p -105.2 168.97 8.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.227 -0.442 . . . . 72.34 111.159 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 73.05 110.952 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.799 0.333 . . . . 73.22 111.039 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -95.37 159.01 15.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 75.41 110.917 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.97 131.4 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 53.13 111.098 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p -75.65 -171.39 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 43.11 110.878 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.6 m -109.01 86.05 3.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.567 0.698 . . . . 71.25 111.145 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -165.61 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 74.12 112.387 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.692 HD23 ' HG ' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -67.85 155.77 38.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.922 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.692 ' HG ' HD23 ' A' ' 7' ' ' LEU . 10.1 mt 66.24 30.6 9.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 72.32 110.945 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.476 ' HB3' HG23 ' A' ' 5' ' ' THR . 35.4 m-70 -135.47 138.52 43.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 73.35 110.785 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -52.8 147.73 8.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 72.33 110.919 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 p -139.01 19.01 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 64.51 110.901 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.9 t -56.62 -26.95 57.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 61.22 110.838 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -65.87 -43.08 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 55.13 110.794 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.95 118.39 2.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.419 . . . . 73.23 110.823 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -61.51 -17.87 56.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.862 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -115.0 25.83 10.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 74.45 110.875 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.8 t -96.91 -22.14 17.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 52.44 110.87 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.0 m -52.14 158.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 71.45 110.855 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.1 m -57.74 -174.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.868 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.49 -41.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 71.24 110.871 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.63 164.7 0.31 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.763 . . . . 61.44 112.458 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.19 -13.91 54.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 51.53 110.905 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.7 mtm -90.18 -72.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.835 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -147.87 155.02 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.924 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -88.76 138.1 31.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.9 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -77.53 142.89 38.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 64.3 110.898 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.0 m -109.8 139.66 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 74.2 111.155 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.18 121.73 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.927 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.93 130.45 52.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 73.02 110.867 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.6 m -106.4 137.02 45.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 73.42 110.808 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -145.24 170.55 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 64.44 110.882 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -110.46 82.23 2.7 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.668 0.747 . . . . 70.02 110.878 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 68.32 1.63 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.724 2.283 . . . . 63.12 112.33 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 48.31 30.79 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 60.11 110.901 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.83 79.77 1.65 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 75.12 112.514 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.4 -41.94 72.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 74.34 110.946 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -100.34 -10.45 21.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 75.13 110.929 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -99.86 -166.58 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 71.11 110.888 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.9 t -123.83 179.15 4.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 73.54 111.141 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -57.09 126.17 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.848 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.4 t -94.9 120.85 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 72.44 111.154 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.1 m -107.15 114.3 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.22 110.878 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 p -126.47 168.36 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 73.25 110.884 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.41 ' SG ' HG22 ' A' ' 5' ' ' THR . 83.3 m -80.04 119.74 23.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 71.34 110.868 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -129.02 152.5 48.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.954 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.46 ' C ' ' H ' ' A' ' 48' ' ' LYS . 5.3 pt20 -101.12 156.6 34.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 45.04 110.931 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 35.08 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.747 2.298 . . . . 70.04 112.329 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 46' ' ' GLN . 16.5 mtpt 51.87 88.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 62.52 110.878 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 p -141.77 -172.41 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 63.41 110.913 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 72.26 -69.24 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.883 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.2 tttt -169.28 99.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 71.14 110.88 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 5.8 tp -177.56 121.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 74.13 111.167 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 52' ' ' ILE . . . 68.9 -77.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 55.45 111.055 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -74.23 -42.15 60.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 72.24 110.918 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.22 25.34 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 74.44 110.833 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 tt -72.48 140.69 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 63.5 111.128 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.9 mt -83.11 95.52 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 64.52 111.155 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -98.21 61.66 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 75.13 110.831 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.35 112.83 26.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.89 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.18 152.31 32.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 73.53 111.137 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.89 111.3 16.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 74.1 110.876 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.6 t -71.42 151.92 43.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 55.23 111.116 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.0 t -125.24 121.65 34.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 72.34 111.082 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 73.05 110.969 179.855 . . . . . . . . 0 0 . 1 stop_ save_